 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Boat_STD_wB97XD-augccpVDZr.in
 Output=28_pantolactone_Boat_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/28_pantolactone_Boat_STD/Gau-17519.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/28_pantolactone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17520.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Boat_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 23:54:48 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Boat_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 1.011671000000     -1.084086000000     -0.813691000000
  C                                                 1.419413000000     -0.188289000000      0.111620000000
  O                                                 2.553619000000     -0.095356000000      0.484544000000
  C                                                 0.235828000000      0.696000000000      0.519965000000
  C                                                -0.979961000000     -0.126503000000      0.081048000000
  C                                                -0.385884000000     -0.883675000000     -1.120205000000
  O                                                 0.318123000000      1.909739000000     -0.219607000000
  H                                                 0.252519000000      0.889728000000      1.595205000000
  C                                                -2.196472000000      0.704842000000     -0.305200000000
  C                                                -1.329021000000     -1.118373000000      1.197513000000
  H                                                -0.452245000000     -0.301310000000     -2.040275000000
  H                                                -0.831807000000     -1.864662000000     -1.274620000000
  H                                                 1.179565000000      2.308118000000     -0.044321000000
  H                                                -1.948274000000      1.441050000000     -1.067010000000
  H                                                -2.593106000000      1.235162000000      0.562058000000
  H                                                -2.987301000000      0.056387000000     -0.689334000000
  H                                                -0.472039000000     -1.735350000000      1.475951000000
  H                                                -2.129645000000     -1.785340000000      0.874079000000
  H                                                -1.668393000000     -0.590170000000      2.089853000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12          16          12          12          12          16           1          12          12
 AtmWgt=  15.9949146  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           1           0           0
 AtZEff=   5.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   8.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 23:54:49 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.350891   0.000000
     3  O    2.245129   1.197553   0.000000
     4  C    2.355690   1.532836   2.449419   0.000000
     5  C    2.384139   2.400364   3.556679   1.532091   0.000000
     6  C    1.444741   2.293480   3.440544   2.360520   1.539235
     7  O    3.130005   2.392545   3.084425   1.423693   2.433454
     8  H    3.205469   2.173657   2.738434   1.092680   2.201001
     9  C    3.708235   3.747806   4.881329   2.568474   1.523227
    10  C    3.086253   3.098082   4.077963   2.489934   1.533670
    11  H    2.064049   2.854213   3.930947   2.832473   2.192955
    12  H    2.054304   3.130476   4.205498   3.304144   2.209294
    13  H    3.482408   2.512746   2.818583   1.951405   3.256785
    14  H    3.898943   3.922401   5.003489   2.800695   2.170919
    15  H    4.501779   4.281287   5.316490   2.880162   2.165119
    16  H    4.160279   4.485590   5.665934   3.501438   2.157858
    17  H    2.804996   2.798640   3.581491   2.706741   2.189093
    18  H    3.634307   3.965820   4.994071   3.446434   2.168504
    19  H    3.982118   3.689100   4.543924   2.782955   2.173528
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.018255   0.000000
     8  H    3.305445   2.082851   0.000000
     9  C    2.542803   2.789676   3.105363   0.000000
    10  C    2.513246   3.727033   2.586870   2.516889   0.000000
    11  H    1.090909   2.965980   3.889984   2.658036   3.452477
    12  H    1.088589   4.084299   4.122902   3.066665   2.629755
    13  H    3.714256   0.965149   2.357815   3.746489   4.424477
    14  H    2.801471   2.464613   3.497833   1.088099   3.473066
    15  H    3.491605   3.088901   3.047015   1.091189   2.746059
    16  H    2.799417   3.818558   4.050927   1.092457   2.773111
    17  H    2.733642   4.097066   2.725847   3.478607   1.092065
    18  H    2.798369   4.565230   3.653863   2.756115   1.091079
    19  H    3.469214   3.940736   2.474809   2.773482   1.091074
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.781675   0.000000
    13  H    3.668208   4.792843   0.000000
    14  H    2.494227   3.495330   3.403098   0.000000
    15  H    3.703535   4.010545   3.968876   1.764103   0.000000
    16  H    2.894736   2.946039   4.780074   1.771866   1.763769
    17  H    3.797461   2.777012   4.624787   4.328445   3.762721
    18  H    3.675524   2.511490   5.343288   3.769657   3.071740
    19  H    4.315138   3.693763   4.589732   3.764302   2.553642
                   16         17         18         19
    16  H    0.000000
    17  H    3.771647   0.000000
    18  H    2.563551   1.764201   0.000000
    19  H    3.143475   1.766232   1.766152   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4824118           1.4960408           1.2565744
 Leave Link  202 at Thu Jul  8 23:54:49 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     11     12     13     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      4      5      6      9     10
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.0319268020 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0125049061 Hartrees.
 Nuclear repulsion after empirical dispersion term =      497.0194218960 Hartrees.
 Leave Link  301 at Thu Jul  8 23:54:52 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.07D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Jul  8 23:54:53 2021, MaxMem= 10737418240 cpu:               7.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 23:54:53 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Boat_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 23:54:54 2021, MaxMem= 10737418240 cpu:               8.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737211671 LenY= 10737112005
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.257171347856    
 DIIS: error= 1.81D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.257171347856     IErMin= 1 ErrMin= 1.81D-03
 ErrMax= 1.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.37D-03 BMatP= 6.37D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.81D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.414 Goal=   None    Shift=    0.000
 GapD=    0.414 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.49D-03 MaxDP=7.76D-01              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.45D-03    CP:  1.03D+00
 E= -460.262291174903     Delta-E=       -0.005119827047 Rises=F Damp=F
 DIIS: error= 4.20D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.262291174903     IErMin= 2 ErrMin= 4.20D-04
 ErrMax= 4.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-04 BMatP= 6.37D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.20D-03
 Coeff-Com: -0.171D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.170D-01 0.102D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=8.07D-02 DE=-5.12D-03 OVMax= 4.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.32D-04    CP:  1.03D+00  1.11D+00
 E= -460.262386315136     Delta-E=       -0.000095140232 Rises=F Damp=F
 DIIS: error= 5.11D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -460.262386315136     IErMin= 2 ErrMin= 4.20D-04
 ErrMax= 5.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-04 BMatP= 1.78D-04
 IDIUse=3 WtCom= 3.07D-01 WtEn= 6.93D-01
 Coeff-Com: -0.412D-01 0.538D+00 0.503D+00
 Coeff-En:   0.000D+00 0.266D+00 0.734D+00
 Coeff:     -0.126D-01 0.350D+00 0.663D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.68D-04 MaxDP=9.77D-03 DE=-9.51D-05 OVMax= 2.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.03D+00  1.12D+00  1.14D+00
 E= -460.262492377459     Delta-E=       -0.000106062323 Rises=F Damp=F
 DIIS: error= 2.43D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.262492377459     IErMin= 4 ErrMin= 2.43D-04
 ErrMax= 2.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-05 BMatP= 1.78D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.43D-03
 Coeff-Com: -0.319D-02-0.479D-01 0.315D+00 0.736D+00
 Coeff-En:   0.000D+00 0.000D+00 0.167D+00 0.833D+00
 Coeff:     -0.318D-02-0.478D-01 0.315D+00 0.736D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.12D-04 MaxDP=7.35D-03 DE=-1.06D-04 OVMax= 1.06D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.56D-05    CP:  1.03D+00  1.13D+00  1.28D+00  9.81D-01
 E= -460.262525236935     Delta-E=       -0.000032859476 Rises=F Damp=F
 DIIS: error= 2.47D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.262525236935     IErMin= 5 ErrMin= 2.47D-05
 ErrMax= 2.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-07 BMatP= 4.51D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-02-0.583D-01 0.682D-01 0.260D+00 0.728D+00
 Coeff:      0.217D-02-0.583D-01 0.682D-01 0.260D+00 0.728D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.67D-05 MaxDP=2.03D-03 DE=-3.29D-05 OVMax= 2.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.50D-06    CP:  1.03D+00  1.13D+00  1.31D+00  1.07D+00  1.18D+00
 E= -460.262525735743     Delta-E=       -0.000000498808 Rises=F Damp=F
 DIIS: error= 7.41D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.262525735743     IErMin= 6 ErrMin= 7.41D-06
 ErrMax= 7.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-08 BMatP= 4.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-02-0.166D-01-0.199D-02 0.315D-01 0.275D+00 0.711D+00
 Coeff:      0.103D-02-0.166D-01-0.199D-02 0.315D-01 0.275D+00 0.711D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=5.88D-06 MaxDP=4.93D-04 DE=-4.99D-07 OVMax= 9.14D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.48D-06    CP:  1.03D+00  1.13D+00  1.31D+00  1.08D+00  1.25D+00
                    CP:  1.08D+00
 E= -460.262525786070     Delta-E=       -0.000000050327 Rises=F Damp=F
 DIIS: error= 5.97D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.262525786070     IErMin= 7 ErrMin= 5.97D-06
 ErrMax= 5.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-08 BMatP= 5.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-03-0.894D-03-0.995D-02-0.186D-01 0.410D-01 0.357D+00
 Coeff-Com:  0.631D+00
 Coeff:      0.248D-03-0.894D-03-0.995D-02-0.186D-01 0.410D-01 0.357D+00
 Coeff:      0.631D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.91D-06 MaxDP=1.40D-04 DE=-5.03D-08 OVMax= 5.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.57D-07    CP:  1.03D+00  1.13D+00  1.31D+00  1.09D+00  1.27D+00
                    CP:  1.14D+00  1.17D+00
 E= -460.262525798946     Delta-E=       -0.000000012876 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.262525798946     IErMin= 8 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-09 BMatP= 1.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.979D-04 0.263D-02-0.292D-02-0.121D-01-0.374D-01-0.197D-01
 Coeff-Com:  0.223D+00 0.847D+00
 Coeff:     -0.979D-04 0.263D-02-0.292D-02-0.121D-01-0.374D-01-0.197D-01
 Coeff:      0.223D+00 0.847D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=8.47D-07 MaxDP=3.22D-05 DE=-1.29D-08 OVMax= 2.68D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.24D-07    CP:  1.03D+00  1.13D+00  1.31D+00  1.09D+00  1.28D+00
                    CP:  1.17D+00  1.29D+00  1.25D+00
 E= -460.262525800853     Delta-E=       -0.000000001907 Rises=F Damp=F
 DIIS: error= 2.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.262525800853     IErMin= 9 ErrMin= 2.67D-07
 ErrMax= 2.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-10 BMatP= 1.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.506D-04 0.938D-03-0.140D-03-0.243D-02-0.153D-01-0.375D-01
 Coeff-Com:  0.286D-01 0.282D+00 0.744D+00
 Coeff:     -0.506D-04 0.938D-03-0.140D-03-0.243D-02-0.153D-01-0.375D-01
 Coeff:      0.286D-01 0.282D+00 0.744D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.97D-07 MaxDP=9.89D-06 DE=-1.91D-09 OVMax= 8.41D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.03D+00  1.13D+00  1.31D+00  1.09D+00  1.28D+00
                    CP:  1.17D+00  1.31D+00  1.32D+00  1.12D+00
 E= -460.262525801027     Delta-E=       -0.000000000174 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.262525801027     IErMin=10 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-11 BMatP= 1.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.392D-05-0.937D-04 0.483D-03 0.129D-02 0.809D-03-0.128D-01
 Coeff-Com: -0.279D-01-0.487D-01 0.278D+00 0.809D+00
 Coeff:     -0.392D-05-0.937D-04 0.483D-03 0.129D-02 0.809D-03-0.128D-01
 Coeff:     -0.279D-01-0.487D-01 0.278D+00 0.809D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=7.83D-06 DE=-1.74D-10 OVMax= 5.51D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.91D-08    CP:  1.03D+00  1.13D+00  1.31D+00  1.09D+00  1.28D+00
                    CP:  1.16D+00  1.32D+00  1.35D+00  1.20D+00  1.28D+00
 E= -460.262525801084     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 4.60D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -460.262525801084     IErMin=11 ErrMin= 4.60D-08
 ErrMax= 4.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-12 BMatP= 2.21D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.798D-05-0.203D-03 0.167D-03 0.856D-03 0.314D-02 0.235D-02
 Coeff-Com: -0.124D-01-0.631D-01-0.439D-01 0.245D+00 0.868D+00
 Coeff:      0.798D-05-0.203D-03 0.167D-03 0.856D-03 0.314D-02 0.235D-02
 Coeff:     -0.124D-01-0.631D-01-0.439D-01 0.245D+00 0.868D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=4.41D-08 MaxDP=2.34D-06 DE=-5.76D-11 OVMax= 2.51D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.20D-08    CP:  1.03D+00  1.13D+00  1.31D+00  1.09D+00  1.28D+00
                    CP:  1.16D+00  1.31D+00  1.35D+00  1.23D+00  1.39D+00
                    CP:  1.30D+00
 E= -460.262525801114     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 1.50D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -460.262525801114     IErMin=12 ErrMin= 1.50D-08
 ErrMax= 1.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-13 BMatP= 2.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-05-0.260D-04-0.347D-04-0.919D-05 0.502D-03 0.198D-02
 Coeff-Com:  0.115D-02-0.531D-02-0.467D-01-0.566D-01 0.169D+00 0.936D+00
 Coeff:      0.205D-05-0.260D-04-0.347D-04-0.919D-05 0.502D-03 0.198D-02
 Coeff:      0.115D-02-0.531D-02-0.467D-01-0.566D-01 0.169D+00 0.936D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.44D-08 MaxDP=8.67D-07 DE=-2.99D-11 OVMax= 1.02D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.93D-09    CP:  1.03D+00  1.13D+00  1.31D+00  1.09D+00  1.28D+00
                    CP:  1.16D+00  1.31D+00  1.35D+00  1.23D+00  1.44D+00
                    CP:  1.40D+00  1.17D+00
 E= -460.262525801085     Delta-E=        0.000000000029 Rises=F Damp=F
 DIIS: error= 6.79D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -460.262525801114     IErMin=13 ErrMin= 6.79D-09
 ErrMax= 6.79D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-14 BMatP= 2.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.806D-06 0.244D-04-0.266D-04-0.118D-03-0.364D-03-0.383D-05
 Coeff-Com:  0.178D-02 0.830D-02-0.889D-03-0.418D-01-0.106D+00 0.126D+00
 Coeff-Com:  0.101D+01
 Coeff:     -0.806D-06 0.244D-04-0.266D-04-0.118D-03-0.364D-03-0.383D-05
 Coeff:      0.178D-02 0.830D-02-0.889D-03-0.418D-01-0.106D+00 0.126D+00
 Coeff:      0.101D+01
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=5.63D-09 MaxDP=4.27D-07 DE= 2.92D-11 OVMax= 3.71D-07

 SCF Done:  E(RwB97XD) =  -460.262525801     A.U. after   13 cycles
            NFock= 13  Conv=0.56D-08     -V/T= 2.0061
 KE= 4.574921068667D+02 PE=-2.069661962035D+03 EE= 6.548879074711D+02
 Leave Link  502 at Thu Jul  8 23:57:14 2021, MaxMem= 10737418240 cpu:            2223.6 elap:             139.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.83074540D+02

 Leave Link  801 at Thu Jul  8 23:57:14 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 2.12D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 1.67D-01 5.88D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 2.64D-02 3.05D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 2.04D-03 9.92D-03.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 1.10D-04 2.59D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 3.78D-06 3.16D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 1.01D-07 6.57D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 2.76D-09 9.47D-06.
     11 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 6.15D-11 1.05D-06.
      9 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 1.06D-12 1.32D-07.
      6 vectors produced by pass 10 Test12= 1.53D-13 8.33D-09 XBig12= 1.66D-14 1.66D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.923324D+02
      2  0.203741D+01  0.783832D+02
      3  0.416168D+01  0.112955D+01  0.756884D+02
 Isotropic polarizability for W=    0.085645       82.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.344209D+02  0.453392D+01  0.152501D+02
      2   0.202410D+02  0.462470D+00 -0.251785D+02
      3   0.141799D+02 -0.499639D+01  0.992837D+01
      4  -0.865599D+01 -0.610940D+02  0.738055D+01
      5   0.271086D+02  0.918764D+01 -0.670755D+02
      6  -0.299536D+01  0.259532D+00 -0.147413D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.354171D+01  0.993113D+01  0.454442D+01
      2   0.401925D+01  0.694122D+01 -0.272864D+02
      3  -0.105600D+02  0.292160D+02 -0.834676D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.180709D+01  0.254380D+02  0.974495D+01
      2  -0.118585D+02  0.103759D+02 -0.812553D+02
      3  -0.131899D+02  0.813350D+02 -0.121830D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.250993D+00 -0.179016D+01  0.107327D+01
      2  -0.179016D+01  0.191455D+00 -0.472421D+00
      3   0.107327D+01 -0.472421D+00  0.219572D+01
 OR G Eigenvalues:    -1.8973     0.9337     3.0998  Iso=    -0.7121
 Eigenvectors:
   (1)   0.767175   0.628407  -0.128637
   (2)  -0.434909   0.657003   0.615794
   (3)   0.471484  -0.416476   0.777335
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7121 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =     -259.49 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 7.52D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.24D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.43D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.04D-02 3.29D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 2.76D-03 8.72D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 3.36D-05 7.58D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 4.45D-07 6.21D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 3.81D-09 6.42D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 3.01D-11 4.57D-07.
     30 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 2.11D-13 4.27D-08.
      5 vectors produced by pass  8 Test12= 2.55D-14 2.78D-09 XBig12= 1.99D-15 4.75D-09.
      1 vectors produced by pass  9 Test12= 2.55D-14 2.78D-09 XBig12= 7.64D-16 3.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   246 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.09D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.09D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.65D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.923324D+02  0.203741D+01  0.416168D+01
      2   0.203741D+01  0.783832D+02  0.112955D+01
      3   0.416168D+01  0.112955D+01  0.756884D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.354171D+01  0.993113D+01  0.454442D+01
      2   0.401925D+01  0.694122D+01 -0.272864D+02
      3  -0.105600D+02  0.292160D+02 -0.834676D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.344209D+02  0.453392D+01  0.152501D+02
      2   0.202410D+02  0.462470D+00 -0.251785D+02
      3   0.141799D+02 -0.499639D+01  0.992837D+01
      4  -0.865599D+01 -0.610940D+02  0.738055D+01
      5   0.271086D+02  0.918764D+01 -0.670755D+02
      6  -0.299536D+01  0.259532D+00 -0.147413D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.400477D+01 -0.189902D+01 -0.103173D+01 -0.141923D+01  0.555574D+00
      2  -0.189902D+01  0.260091D+00  0.530305D+00  0.555574D+00 -0.385101D+01
      3  -0.103173D+01  0.530305D+00 -0.429322D+00  0.359910D-01 -0.122650D+01
                 6             7             8             9            10 
      1   0.359910D-01 -0.632948D+00 -0.300623D+00  0.269523D+00 -0.725780D+01
      2  -0.122650D+01 -0.300623D+00 -0.174711D+01 -0.145449D+01 -0.171156D+01
      3  -0.859752D+00  0.269523D+00 -0.145449D+01 -0.289756D+01 -0.350584D+01
                11            12            13            14            15 
      1  -0.171156D+01 -0.350584D+01 -0.134505D+01  0.579129D+00  0.917060D+00
      2  -0.867669D+00  0.726364D+00  0.579129D+00  0.111276D+00  0.295635D+00
      3   0.726364D+00 -0.327060D+00  0.917060D+00  0.295635D+00  0.548553D+00
                16            17            18            19            20 
      1  -0.211847D+01  0.803507D+00  0.110675D+00  0.172862D+02  0.654089D+00
      2   0.803507D+00  0.514797D+00  0.822506D+00  0.654089D+00  0.304227D+01
      3   0.110675D+00  0.822506D+00  0.142974D+01  0.403704D+01  0.193409D+00
                21            22            23            24            25 
      1   0.403704D+01  0.153120D+00  0.321151D+01 -0.349145D+00  0.283409D+01
      2   0.193409D+00  0.321151D+01  0.928856D+00  0.961922D+00 -0.950614D-01
      3   0.290890D+01 -0.349145D+00  0.961922D+00  0.729354D-01  0.406935D+01
                26            27            28            29            30 
      1  -0.950614D-01  0.406935D+01  0.126661D+01  0.330882D+01  0.139752D+01
      2   0.815994D+00  0.368387D-01  0.330882D+01 -0.344661D+00 -0.155796D+00
      3   0.368387D-01  0.283182D+01  0.139752D+01 -0.155796D+00  0.324192D+00
                31            32            33            34            35 
      1   0.237476D+01 -0.441310D+00  0.259493D+00  0.143585D+01 -0.204020D+00
      2  -0.441310D+00 -0.235552D+01  0.145419D+01 -0.204020D+00  0.260604D+01
      3   0.259493D+00  0.145419D+01 -0.750380D+00 -0.251851D-01 -0.209260D+01
                36            37            38            39            40 
      1  -0.251851D-01 -0.143815D+01 -0.340288D+01  0.107821D+01 -0.304327D+01
      2  -0.209260D+01 -0.340288D+01 -0.550936D+00 -0.264390D+01 -0.234462D+00
      3  -0.618573D+01  0.107821D+01 -0.264390D+01 -0.129912D+01 -0.260084D+01
                41            42            43            44            45 
      1  -0.234462D+00 -0.260084D+01  0.112921D+01 -0.293313D+01 -0.985571D+00
      2   0.336483D+00 -0.951100D+00 -0.293313D+01 -0.191440D+01  0.392646D+01
      3  -0.951100D+00  0.478079D+01 -0.985571D+00  0.392646D+01  0.654506D+00
                46            47            48            49            50 
      1  -0.211392D+01  0.128153D+01 -0.106907D+01  0.587700D+00  0.235734D+01
      2   0.128153D+01  0.252915D+01  0.786395D+00  0.235734D+01  0.271998D+01
      3  -0.106907D+01  0.786395D+00  0.256860D+01  0.110625D+01  0.168485D+01
                51            52            53            54            55 
      1   0.110625D+01 -0.122845D+01  0.115140D+01  0.159605D+01 -0.437795D+01
      2   0.168485D+01  0.115140D+01  0.673453D+00 -0.313004D+01 -0.203847D+01
      3  -0.447925D+01  0.159605D+01 -0.313004D+01  0.239452D+01 -0.103062D+01
                56            57            58            59            60 
      1  -0.203847D+01 -0.103062D+01 -0.830188D+00 -0.106383D+01 -0.236847D+00
      2  -0.306824D+01 -0.978513D-01 -0.106383D+01  0.453303D+01 -0.150827D+01
      3  -0.978513D-01 -0.840095D+00 -0.236847D+00 -0.150827D+01 -0.967067D-01
                61            62            63            64            65 
      1  -0.183673D+01 -0.437803D+00 -0.606160D-01 -0.186446D+00 -0.912017D-01
      2  -0.437803D+00 -0.328233D+01  0.181142D+01 -0.912017D-01 -0.121463D-01
      3  -0.606160D-01  0.181142D+01 -0.886312D+00  0.112068D+01  0.516134D-01
                66            67            68            69            70 
      1   0.112068D+01  0.347194D-01  0.109362D+00  0.395590D-01  0.131912D+01
      2   0.516134D-01  0.109362D+00  0.131032D+01  0.112188D+01  0.353601D+00
      3   0.169783D-01  0.395590D-01  0.112188D+01  0.102459D+01  0.171981D+00
                71            72            73            74            75 
      1   0.353601D+00  0.171981D+00  0.134064D+01  0.341420D+01 -0.149849D+00
      2   0.179288D+01  0.132852D+01  0.341420D+01  0.112738D+00  0.337782D+01
      3   0.132852D+01  0.829093D+01 -0.149849D+00  0.337782D+01  0.106030D+01
                76            77            78            79            80 
      1   0.390916D+01  0.854639D+00  0.336995D+01 -0.223023D+00  0.325829D+01
      2   0.854639D+00 -0.127848D+01  0.124784D+01  0.325829D+01  0.110853D+01
      3   0.336995D+01  0.124784D+01 -0.362954D+01  0.186132D+01 -0.378120D+01
                81            82            83            84            85 
      1   0.186132D+01  0.378241D+00  0.435112D+01 -0.834979D+00  0.402103D+01
      2  -0.378120D+01  0.435112D+01  0.148507D+00  0.301859D+01  0.368058D+00
      3  -0.253805D+00 -0.834979D+00  0.301859D+01  0.457391D+00  0.314181D+01
                86            87            88            89            90 
      1   0.368058D+00  0.314181D+01 -0.359010D+00  0.339597D+01  0.916263D+00
      2   0.119024D+01  0.453647D+00  0.339597D+01  0.151768D+01 -0.329502D+01
      3   0.453647D+00 -0.426379D+01  0.916263D+00 -0.329502D+01 -0.204001D+01
                91            92            93            94            95 
      1  -0.426217D-01  0.417128D+00 -0.111829D+01  0.119034D+01 -0.718950D+00
      2   0.417128D+00 -0.292998D+00  0.707715D-01 -0.718950D+00  0.945153D+00
      3  -0.111829D+01  0.707715D-01 -0.697678D+00  0.183905D+00 -0.177400D+01
                96            97            98            99           100 
      1   0.183905D+00 -0.163711D+01  0.889719D-01 -0.947587D+00 -0.188637D+01
      2  -0.177400D+01  0.889719D-01 -0.130362D+01  0.151914D+01 -0.198745D+01
      3   0.362558D+01 -0.947587D+00  0.151914D+01 -0.803805D+01 -0.609283D+00
               101           102           103           104           105 
      1  -0.198745D+01 -0.609283D+00 -0.221141D+01 -0.222708D+01 -0.806886D+00
      2  -0.242912D+01 -0.968763D+00 -0.222708D+01 -0.691727D+01 -0.238469D+01
      3  -0.968763D+00 -0.116699D+01 -0.806886D+00 -0.238469D+01 -0.169302D+01
               106           107           108           109           110 
      1  -0.178820D+00 -0.422462D+00 -0.877130D+00  0.478174D+01  0.340383D+01
      2  -0.422462D+00 -0.103917D+01 -0.100553D+01  0.340383D+01  0.442898D+01
      3  -0.877130D+00 -0.100553D+01 -0.160455D+01  0.271018D-02 -0.159966D+00
               111           112           113           114           115 
      1   0.271018D-02  0.252148D+01  0.218262D+01 -0.546820D-02  0.533003D+00
      2  -0.159966D+00  0.218262D+01  0.372506D+01 -0.263951D-01  0.419973D+00
      3   0.947390D+00 -0.546820D-02 -0.263951D-01  0.595722D+00  0.586196D+00
               116           117           118           119           120 
      1   0.419973D+00  0.586196D+00  0.677077D+00  0.234459D+00 -0.477686D+00
      2   0.643414D+00  0.729553D+00  0.234459D+00  0.539464D+00 -0.598339D+00
      3   0.729553D+00 -0.557935D-01 -0.477686D+00 -0.598339D+00  0.534774D+00
               121           122           123           124           125 
      1   0.976590D+00 -0.512890D+00 -0.302061D-01 -0.133568D+01  0.125436D+00
      2  -0.512890D+00  0.407588D+01 -0.241496D+01  0.125436D+00 -0.284904D+01
      3  -0.302061D-01 -0.241496D+01  0.275936D+01 -0.554912D+00  0.278749D+01
               126           127           128           129           130 
      1  -0.554912D+00 -0.287542D+01  0.113143D+01  0.133525D+01  0.146467D+01
      2   0.278749D+01  0.113143D+01 -0.124669D+01 -0.100097D+01 -0.172372D+01
      3  -0.372701D+01  0.133525D+01 -0.100097D+01 -0.136025D+01 -0.125380D+01
               131           132           133           134           135 
      1  -0.172372D+01 -0.125380D+01  0.306453D+01 -0.187841D+01 -0.210242D+01
      2   0.277924D+01  0.131608D+01 -0.187841D+01  0.228867D+01  0.204328D+01
      3   0.131608D+01  0.188725D+01 -0.210242D+01  0.204328D+01  0.367206D+01
               136           137           138           139           140 
      1  -0.676548D+01 -0.175251D+01 -0.178672D+01 -0.406949D+01 -0.174201D+01
      2  -0.175251D+01 -0.154223D+01 -0.792303D+00 -0.174201D+01 -0.185538D+01
      3  -0.178672D+01 -0.792303D+00 -0.159703D+01 -0.136603D+01 -0.775769D+00
               141           142           143           144           145 
      1  -0.136603D+01 -0.225530D+01 -0.828046D+00 -0.182674D+01  0.342626D+01
      2  -0.775769D+00 -0.828046D+00 -0.789501D+00 -0.220422D+00 -0.210774D+01
      3  -0.893549D+00 -0.182674D+01 -0.220422D+00 -0.140147D+01  0.983302D+00
               146           147           148           149           150 
      1  -0.210774D+01  0.983302D+00 -0.208914D+01  0.155151D+01 -0.927159D+00
      2   0.281455D+01 -0.165176D+01  0.155151D+01 -0.359776D+01  0.143160D+01
      3  -0.165176D+01  0.189841D+01 -0.927159D+00  0.143160D+01 -0.102945D+01
               151           152           153           154           155 
      1   0.852492D+00 -0.875437D+00  0.804844D+00 -0.473152D+01 -0.318495D+01
      2  -0.875437D+00  0.101190D+01 -0.835959D+00 -0.318495D+01 -0.299713D+01
      3   0.804844D+00 -0.835959D+00  0.164968D+01  0.690961D-01 -0.163389D+00
               156           157           158           159           160 
      1   0.690961D-01 -0.305027D+01 -0.260661D+01 -0.267775D+00 -0.126239D+01
      2  -0.163389D+00 -0.260661D+01 -0.403583D+01  0.365212D-01 -0.106467D+01
      3  -0.121707D+01 -0.267775D+00  0.365212D-01 -0.578593D+00 -0.753890D+00
               161           162           163           164           165 
      1  -0.106467D+01 -0.753890D+00 -0.148591D+01 -0.208152D-01  0.159026D+01
      2  -0.136026D+01 -0.285048D+00 -0.208152D-01 -0.523933D+00 -0.522233D+00
      3  -0.285048D+00 -0.438948D+00  0.159026D+01 -0.522233D+00 -0.178232D+01
               166           167           168           169           170 
      1   0.824495D+00 -0.498887D+00 -0.120986D+01  0.189963D+01 -0.557480D+00
      2  -0.498887D+00  0.123574D+01  0.105753D+01 -0.557480D+00  0.131207D+01
      3  -0.120986D+01  0.105753D+01  0.297926D+01 -0.225216D+01  0.109512D+01
               171 
      1  -0.225216D+01
      2   0.109512D+01
      3   0.660600D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.382491D+00 -0.483930D+00  0.851018D+00 -0.452868D+01  0.319034D+01
      2   0.706838D+01 -0.163761D+01  0.642917D+01 -0.486299D+01  0.745297D-01
      3  -0.653371D+01 -0.394789D+01  0.105939D+01  0.782618D+01  0.334305D+01
                 6             7             8             9            10 
      1  -0.380530D+01  0.242237D+01  0.280795D+00 -0.385633D+01 -0.221681D+01
      2  -0.812333D+00 -0.537368D+01 -0.348894D+01 -0.270787D+01  0.253021D+00
      3   0.254918D+01  0.372062D+01 -0.105140D+01  0.154456D+01  0.526394D+01
                11            12            13            14            15 
      1  -0.306709D+01 -0.103130D+01  0.161932D+01 -0.102067D+02 -0.274200D+01
      2   0.315971D+01 -0.861416D+01  0.810763D+01 -0.145023D+01 -0.824840D+00
      3   0.932545D+01 -0.267668D+01  0.748651D+01 -0.491506D+01 -0.122687D+00
                16            17            18            19            20 
      1  -0.236499D+01  0.682069D+01  0.768661D+01  0.118601D+01  0.468823D+01
      2  -0.740187D+01  0.192604D+01 -0.353387D+01  0.239051D+01  0.182954D+01
      3  -0.745113D+01  0.491037D+01  0.424838D+00 -0.647279D+01 -0.175833D+02
                21            22            23            24            25 
      1   0.187007D+00 -0.317693D+00  0.316265D+01 -0.182803D+01  0.232429D+01
      2   0.162098D+02 -0.731448D+00  0.264878D+01  0.329156D+00  0.390995D+01
      3  -0.187909D+01 -0.371594D+01 -0.137155D+01 -0.137564D+01  0.106587D+01
                26            27            28            29            30 
      1   0.188781D+01 -0.964997D+00  0.228418D+01 -0.164553D+01  0.199695D+01
      2   0.477485D-01  0.708876D+01  0.194603D+01 -0.420109D+01  0.460459D+00
      3  -0.435167D+01 -0.257518D+01 -0.130677D+01 -0.172942D+01  0.154742D+01
                31            32            33            34            35 
      1  -0.266990D+01 -0.830604D-01  0.208593D+01  0.100192D+01  0.458338D+01
      2  -0.431404D+01  0.175221D+01 -0.194941D+01 -0.533133D+01 -0.827334D-01
      3   0.400678D+01  0.695137D+01 -0.303661D+00  0.331188D+01 -0.119541D+01
                36            37            38            39            40 
      1   0.634880D+00 -0.309559D+00 -0.204665D-01 -0.793953D+00  0.814066D+00
      2  -0.264905D+01 -0.909404D+00  0.520192D+01  0.671114D+01  0.487538D+01
      3   0.582862D-01 -0.493597D+01 -0.458636D+01 -0.402663D+01  0.428786D+01
                41            42            43            44            45 
      1   0.834915D+00 -0.292908D+01  0.293926D-01  0.498608D+01 -0.114832D+01
      2   0.916794D+00 -0.399296D+01 -0.278697D+01 -0.354617D+01 -0.190288D+01
      3  -0.101129D+01 -0.296160D+00 -0.324345D+01 -0.314453D+00  0.529265D+01
                46            47            48            49            50 
      1  -0.163628D+01 -0.331393D+01  0.318779D+00 -0.333100D+01 -0.525382D+01
      2  -0.588192D+01  0.923000D+00 -0.308815D+01  0.522955D+00  0.236062D+01
      3   0.779336D+01  0.176006D+01  0.250172D+01  0.457835D+01 -0.165609D+00
                51            52            53            54            55 
      1  -0.109718D+02 -0.104048D+01 -0.304564D+01  0.924388D+01  0.280525D+01
      2   0.515159D+01 -0.563187D+01  0.261570D+01  0.143886D+01 -0.243749D+01
      3   0.141690D+01  0.133287D+00 -0.396730D+00 -0.512732D+01 -0.127235D+02
                56            57            58            59            60 
      1   0.103704D+01  0.110414D+01  0.207849D+01  0.531365D+01 -0.682863D+01
      2  -0.247414D+01  0.158815D+01 -0.723561D+00 -0.230986D+01  0.528598D+00
      3  -0.700571D+01 -0.102306D+01  0.169654D+01 -0.593162D+01  0.330707D+00
                61            62            63            64            65 
      1   0.910114D+00  0.872165D+00  0.441257D+01 -0.668765D+00  0.986250D-01
      2  -0.297507D+01 -0.180662D+00 -0.117037D+01  0.783163D+00  0.882487D+00
      3  -0.434929D+01  0.177100D+01 -0.133848D+01 -0.158895D+00 -0.109451D+01
                66            67            68            69            70 
      1   0.139096D+00  0.670678D-01  0.376984D+00 -0.395888D+00  0.840460D+00
      2   0.520634D+00 -0.125765D+00  0.276304D+00  0.194548D+00 -0.420828D+01
      3   0.139180D+00  0.933093D+00 -0.326391D+00 -0.334896D+00  0.171910D+01
                71            72            73            74            75 
      1   0.330908D+01 -0.503439D+01 -0.995502D+00 -0.295093D+01 -0.260345D+01
      2  -0.489484D+00  0.289699D+01  0.154780D+01 -0.756309D+01 -0.187012D+01
      3  -0.449655D+00 -0.373294D+00  0.111032D+02  0.158701D+01  0.864616D+01
                76            77            78            79            80 
      1  -0.327200D+01 -0.281151D+00  0.136334D+01 -0.411771D+01  0.500613D+01
      2  -0.786864D+01 -0.291644D+01  0.103415D+02 -0.893498D+01  0.113993D+02
      3   0.924162D+01 -0.341231D+01  0.622256D+01  0.873019D+01  0.555743D+01
                81            82            83            84            85 
      1   0.198115D+01  0.516493D+01  0.434635D+01  0.568062D+01  0.525955D+01
      2   0.984651D+00  0.234993D+00 -0.124733D+02  0.294000D+01 -0.112137D+02
      3  -0.791559D+01  0.554416D+01 -0.838663D+01  0.683806D+01 -0.266196D+01
                86            87            88            89            90 
      1   0.376234D+01 -0.716218D+01  0.619537D+01 -0.946569D+00 -0.940767D+01
      2  -0.115115D+01  0.958388D+00 -0.296614D+01  0.360878D-01  0.291621D+01
      3   0.206607D+01 -0.371182D+01  0.549644D+01 -0.307871D+01 -0.598129D+01
                91            92            93            94            95 
      1  -0.186145D+01  0.735595D+00 -0.498459D+00  0.223578D+01 -0.458087D+01
      2   0.439624D-01  0.107479D+01 -0.518448D+00  0.324824D+01 -0.642914D+00
      3   0.150266D+00 -0.162439D+01  0.515893D+00 -0.757939D+00  0.177351D+01
                96            97            98            99           100 
      1   0.536375D+01 -0.145490D+01  0.625646D+01 -0.985393D+01  0.229523D+01
      2  -0.188323D+01 -0.468929D+01 -0.754089D+00  0.221156D+01 -0.265054D+01
      3  -0.153893D+01  0.108120D+01 -0.101037D+01  0.289461D+01  0.191371D+01
               101           102           103           104           105 
      1   0.271903D+01 -0.607143D+00  0.262350D+01  0.779107D+01 -0.112865D+01
      2  -0.203100D+01  0.137345D+01 -0.394931D+01 -0.232325D+01  0.205501D+00
      3  -0.412085D+00 -0.140831D+00  0.427979D+01 -0.184932D+01 -0.324379D+00
               106           107           108           109           110 
      1  -0.434785D+00  0.111054D+01 -0.437093D+00 -0.142619D+01 -0.570304D+00
      2  -0.685578D+00 -0.467554D+00 -0.659458D+00  0.168688D+01  0.165050D+01
      3   0.563497D+00  0.133751D+00  0.110874D+01  0.115963D+02  0.374432D+01
               111           112           113           114           115 
      1  -0.239724D+01 -0.945674D+00 -0.338607D+00 -0.169465D+01 -0.122091D+01
      2   0.179704D+01  0.894131D+00  0.113361D+01  0.918134D+00 -0.669192D-01
      3   0.289742D+00  0.489111D+01  0.388487D+01 -0.237440D-01  0.142624D+01
               116           117           118           119           120 
      1  -0.497922D+00  0.101441D+00  0.701320D-01 -0.344451D+00 -0.238696D+00
      2   0.740533D+00  0.429308D+00  0.242150D+01  0.149046D+01 -0.947628D+00
      3   0.133340D+00  0.785353D+00  0.203719D+01  0.131869D+01 -0.172496D+01
               121           122           123           124           125 
      1   0.715413D-01 -0.775735D+00 -0.313516D+01  0.261776D+00  0.676509D+00
      2   0.192128D+01  0.574672D+01 -0.708313D+01 -0.179684D+01 -0.655586D+01
      3   0.221733D+01  0.981836D+01 -0.622025D+01 -0.237327D+01 -0.709687D+01
               126           127           128           129           130 
      1   0.292569D+01 -0.164908D+01  0.101836D+01  0.219719D+01  0.170121D+01
      2   0.855853D+01 -0.380109D+01  0.317703D+01  0.530356D+01  0.294238D+01
      3   0.634363D+01  0.331980D+00 -0.353180D+01 -0.163185D+01 -0.153193D+01
               131           132           133           134           135 
      1  -0.137756D+01 -0.371332D+01  0.209927D+01 -0.531116D+00 -0.528516D+01
      2  -0.394566D+01 -0.604742D+01  0.382704D+01 -0.553388D+01 -0.108493D+02
      3   0.597637D+01  0.232174D+01 -0.141817D+01  0.526319D+01  0.381494D+01
               136           137           138           139           140 
      1   0.203351D+01  0.196562D+01  0.951361D+00  0.131602D+01  0.204956D+01
      2   0.167060D+01  0.134129D+01  0.542989D+01  0.157969D+01  0.133186D+01
      3  -0.873378D+01 -0.761392D+01 -0.355706D+01 -0.527530D+01 -0.740285D+01
               141           142           143           144           145 
      1  -0.441179D+00  0.144812D+01  0.156658D+01  0.559240D+00 -0.192006D+01
      2   0.289261D+01  0.225897D+01  0.322046D+00  0.321801D+01 -0.823504D+01
      3  -0.273528D+01 -0.362829D+01 -0.342096D+01 -0.185150D+01 -0.949823D+01
               146           147           148           149           150 
      1   0.249162D+01  0.129826D+01  0.118768D+01 -0.342288D+01 -0.998445D+00
      2   0.505521D+01 -0.191115D+01  0.511911D+01 -0.417117D+01  0.208145D+01
      3   0.488041D+01 -0.291153D+01  0.698297D+01 -0.594751D+01  0.303394D+01
               151           152           153           154           155 
      1  -0.583053D-01  0.146502D+01  0.121333D+01 -0.453272D+01 -0.435046D+01
      2  -0.342587D+01  0.249675D+01 -0.273026D+01  0.586326D+01  0.439659D+01
      3  -0.276443D+01  0.224275D+01 -0.226316D+01  0.237772D+01 -0.244998D+01
               156           157           158           159           160 
      1  -0.348348D+01 -0.410194D+01 -0.536241D+01 -0.255364D+01 -0.215954D+01
      2   0.409904D+01  0.479063D+01  0.366073D+01  0.230478D+01  0.168170D+01
      3  -0.283087D-01  0.207265D+01 -0.339384D+01  0.422472D+00  0.607614D+00
               161           162           163           164           165 
      1  -0.824209D+00 -0.172992D+01  0.175968D+01 -0.235337D+01 -0.307072D+01
      2   0.146904D+01  0.225227D+01  0.856318D-01  0.762042D+00  0.193764D+01
      3  -0.116548D+01  0.566720D+00  0.123254D+01 -0.184520D+01 -0.250148D+01
               166           167           168           169           170 
      1  -0.188760D+01  0.463698D+01  0.366460D+01 -0.366217D+01  0.621952D+01
      2  -0.211944D+00 -0.991496D+00 -0.331290D+01 -0.157373D+01 -0.973672D+00
      3  -0.386964D+00  0.293357D+01  0.277000D+01 -0.262791D+01  0.351988D+01
               171 
      1   0.952293D+01
      2  -0.787210D+01
      3   0.459148D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.906195D+01 -0.194112D+01 -0.328842D+01  0.255542D+01 -0.990391D+01
      2  -0.412296D+01  0.132604D+00 -0.171037D+00 -0.270018D+01  0.157900D+02
      3  -0.493898D+01  0.180851D+01  0.345946D+01  0.144760D+00 -0.588613D+01
      4  -0.683330D+01  0.140013D+02  0.388184D+01  0.761135D+01 -0.723246D+01
      5  -0.655292D+01  0.464640D+01  0.128245D+02  0.376917D+01 -0.467573D+01
      6   0.326635D+01  0.321691D+00 -0.137715D+01 -0.138361D+01  0.834866D+01
                 6             7             8             9            10 
      1  -0.525406D+01  0.233397D+01 -0.468168D+01 -0.970745D+01 -0.512483D+02
      2   0.203250D+01  0.459962D+00  0.214607D+01 -0.301644D+01  0.297872D+02
      3   0.322156D+01 -0.279393D+01  0.253560D+01  0.127239D+02  0.214610D+02
      4  -0.242913D+01  0.338660D+01  0.248495D+01 -0.374732D+01 -0.415211D+01
      5   0.604566D+00  0.715368D+01 -0.401676D+01 -0.396148D+01 -0.186812D+02
      6   0.804899D+01 -0.119623D+01  0.942082D+01  0.867713D+01  0.304890D+01
                11            12            13            14            15 
      1   0.569176D+00 -0.925144D+01 -0.701407D+01  0.675201D+00  0.822524D+01
      2  -0.597781D+01  0.809333D+01  0.253953D+01 -0.523303D+00 -0.162122D+01
      3   0.540864D+01  0.115811D+01  0.447455D+01 -0.151898D+00 -0.660402D+01
      4  -0.141955D+02  0.110306D+01  0.386859D+01 -0.314239D+01  0.875756D+00
      5   0.874272D+00 -0.177983D+02 -0.230935D+01  0.188636D+00 -0.164779D+01
      6  -0.504972D+01  0.128499D+01 -0.406671D+00 -0.560665D+01  0.499612D+00
                16            17            18            19            20 
      1  -0.159066D+02  0.805137D+01 -0.103333D+01  0.101455D+03  0.138559D+01
      2   0.798778D+01 -0.779111D+01  0.853726D+00 -0.554767D+02  0.309516D+01
      3   0.791882D+01 -0.260259D+00  0.179608D+00 -0.459784D+02 -0.448075D+01
      4  -0.176103D+01 -0.716301D+01  0.165361D+01  0.149504D+00  0.238018D+02
      5  -0.181307D+01  0.333361D+01 -0.672789D+01  0.241164D+02 -0.629677D+00
      6   0.206571D+01 -0.199741D+01 -0.531663D+01 -0.516399D+01  0.278739D+01
                21            22            23            24            25 
      1   0.157053D+02  0.370452D+01  0.997404D+01 -0.183338D+01  0.126643D+02
      2  -0.119861D+02 -0.297827D+01 -0.624556D+00  0.634684D+00 -0.103622D+02
      3  -0.371923D+01 -0.726244D+00 -0.934948D+01  0.119870D+01 -0.230212D+01
      4  -0.830207D+00  0.218250D+02  0.158795D+01  0.566505D+01 -0.117895D+01
      5   0.278146D+02 -0.110791D+01  0.454398D+01  0.678240D+00  0.276275D+02
      6  -0.242095D+01  0.337655D+01 -0.403781D+00  0.492352D+01 -0.257936D+01
                26            27            28            29            30 
      1  -0.140126D+01  0.127760D+02 -0.642871D+01  0.487846D+01  0.218020D+01
      2   0.107962D+01 -0.135809D+02  0.411459D+01 -0.558450D+01 -0.102931D+01
      3   0.321647D+00  0.804903D+00  0.231413D+01  0.706039D+00 -0.115089D+01
      4   0.604121D+01 -0.124763D+01  0.927450D+00  0.433552D-01 -0.155700D+00
      5  -0.301743D+00  0.174365D+02  0.240245D+01  0.174459D+00 -0.211460D+00
      6   0.501335D+01 -0.170208D+01  0.149069D+01 -0.581476D+00 -0.236824D+01
                31            32            33            34            35 
      1  -0.595071D+01  0.919423D+01 -0.686734D+01 -0.161655D+00 -0.972437D+01
      2   0.413706D+01 -0.156257D+02  0.538176D+01 -0.422741D+00  0.170804D+02
      3   0.181364D+01  0.643147D+01  0.148558D+01  0.584396D+00 -0.735608D+01
      4  -0.324196D+01 -0.218695D+01  0.169159D+01 -0.958266D+00 -0.962595D+00
      5  -0.674535D+00  0.515693D+00 -0.403250D+01 -0.230312D+01 -0.927014D+00
      6   0.149862D+01  0.241449D+01 -0.332874D+01 -0.546996D-01 -0.132723D+01
                36            37            38            39            40 
      1   0.920303D+01  0.119077D+01  0.876258D+01 -0.513073D+01  0.142217D+02
      2   0.109365D+02 -0.698501D+00 -0.182251D+01  0.346669D+01 -0.432977D+01
      3  -0.201395D+02 -0.492271D+00 -0.694007D+01  0.166404D+01 -0.989193D+01
      4   0.798741D+00  0.130258D+02 -0.685008D+00  0.531067D+01 -0.936563D+00
      5  -0.560345D+01 -0.570685D+01  0.597205D+01  0.196757D+01  0.111618D+02
      6  -0.990824D+01 -0.256142D+01  0.490880D+01  0.864367D+00  0.371365D+01
                41            42            43            44            45 
      1   0.670780D+00  0.707722D+01 -0.383613D+01  0.690532D+01  0.395678D+01
      2   0.312281D+01 -0.440886D+01  0.146129D+01 -0.216038D+01 -0.627985D+01
      3  -0.379359D+01 -0.266836D+01  0.237483D+01 -0.474494D+01  0.232307D+01
      4  -0.239807D+00  0.320057D+01  0.940839D+01  0.228643D+01 -0.899700D+01
      5   0.408283D+01 -0.948566D+01  0.365207D+01 -0.962608D+01  0.340198D+01
      6   0.496713D+01 -0.605703D+01 -0.264652D+01 -0.624852D+01  0.389091D+01
                46            47            48            49            50 
      1  -0.475397D+01  0.394773D+01  0.740852D+01  0.274899D+01  0.637884D+01
      2  -0.882250D+00 -0.732610D+01 -0.880072D+00 -0.764655D+01 -0.110158D+02
      3   0.563622D+01  0.337837D+01 -0.652845D+01  0.489756D+01  0.463696D+01
      4  -0.154753D+01 -0.117682D+02 -0.345324D+01 -0.681173D+01 -0.843049D+01
      5   0.404531D+01 -0.550746D+01 -0.671968D+01 -0.500351D+01 -0.713309D+01
      6   0.992058D+00 -0.947885D+01 -0.547218D+01 -0.869112D+01 -0.112239D+02
                51            52            53            54            55 
      1  -0.792431D+01  0.613626D+01 -0.632510D+01  0.620211D+01  0.473494D+01
      2  -0.109179D+02 -0.184405D+01 -0.715616D+01  0.102377D+02 -0.854190D+01
      3   0.188423D+02 -0.429220D+01  0.134813D+02 -0.164398D+02  0.380696D+01
      4  -0.536744D+01 -0.145855D+01 -0.236851D+01  0.143303D+01 -0.180059D+02
      5   0.480576D+01 -0.243297D+01  0.165705D+01 -0.620188D+01 -0.129345D+01
      6  -0.207512D+01 -0.212877D+01  0.117953D+00  0.699930D+01 -0.360277D+01
                56            57            58            59            60 
      1   0.190404D+01 -0.248348D+00  0.375347D+01 -0.209857D+02  0.639449D+01
      2  -0.939508D+01  0.374410D+00 -0.662324D+01  0.312705D+02 -0.292531D+01
      3   0.749104D+01 -0.126061D+00  0.286977D+01 -0.102849D+02 -0.346917D+01
      4  -0.602609D+01 -0.285080D+01 -0.229512D+00 -0.479649D+01 -0.212503D+01
      5  -0.693020D+00  0.325842D+01 -0.197829D+00 -0.127835D+01  0.185295D+01
      6  -0.190518D+01 -0.110251D+01 -0.181691D+01 -0.525497D+01  0.880344D+01
                61            62            63            64            65 
      1  -0.101589D+01  0.929458D+01 -0.838322D+01  0.264515D+00 -0.395238D+00
      2  -0.421765D+00 -0.145139D+02  0.272940D+01 -0.320232D+01 -0.154893D+00
      3   0.143765D+01  0.521927D+01  0.565381D+01  0.293780D+01  0.550130D+00
      4  -0.538280D+01 -0.396940D+01  0.258491D+00 -0.306773D+00  0.240308D+01
      5   0.325002D+01  0.190692D+01 -0.230011D+01  0.106246D+01  0.126064D+01
      6  -0.998398D+00  0.109620D+02 -0.635840D+01  0.206503D+01  0.242553D+00
                66            67            68            69            70 
      1   0.453889D+00  0.212727D+00 -0.571279D+01 -0.367397D+01  0.518022D+00
      2  -0.548863D+00 -0.216490D+00  0.302235D+01  0.981167D+00 -0.335862D+00
      3   0.949733D-01  0.376273D-02  0.269045D+01  0.269280D+01 -0.182160D+00
      4   0.246678D+01  0.168392D+01  0.554730D+00  0.273837D+00  0.173488D+01
      5   0.651010D+01  0.707274D+00  0.463702D+00  0.700179D+00  0.587325D+01
      6   0.647013D+00  0.259065D+00  0.470230D+01  0.832928D+01  0.783634D+00
                71            72            73            74            75 
      1  -0.486792D+01 -0.185818D+02 -0.107672D+02 -0.173480D+02 -0.353054D+01
      2   0.101159D+01 -0.150249D+02  0.101530D+02  0.109337D+02  0.589797D+01
      3   0.385633D+01  0.336068D+02  0.614169D+00  0.641429D+01 -0.236743D+01
      4   0.957613D+00  0.285889D+00 -0.183017D+02 -0.475770D+00 -0.161512D+02
      5   0.107081D+01  0.511904D+01 -0.142760D+01 -0.179362D+02 -0.813807D+01
      6   0.779453D+01  0.164033D+02 -0.553634D+01  0.368158D+01  0.496198D+00
                76            77            78            79            80 
      1  -0.222506D+02 -0.319398D+00 -0.204981D+02 -0.367642D+01 -0.189865D+02
      2   0.139222D+02  0.881176D+00  0.103543D+02  0.630525D+01  0.866741D+01
      3   0.832841D+01 -0.561778D+00  0.101438D+02 -0.262883D+01  0.103191D+02
      4  -0.333924D+01  0.372655D+01 -0.915817D+00 -0.191608D+02  0.104733D+01
      5  -0.219541D+02 -0.364893D+01  0.138285D+02 -0.117319D+02  0.151784D+02
      6   0.339606D+01  0.172853D+01 -0.900989D+01  0.368513D+01 -0.943610D+01
                81            82            83            84            85 
      1  -0.249185D+01  0.385447D+01 -0.194485D+02  0.420302D+01 -0.194316D+02
      2  -0.208104D+01 -0.105864D+02  0.194004D+01 -0.113313D+02 -0.275340D+00
      3   0.457289D+01  0.673192D+01  0.175085D+02  0.712830D+01  0.197069D+02
      4   0.158077D+02 -0.130596D+02 -0.138397D+02 -0.529352D+01 -0.139019D+02
      5   0.396684D+01  0.426962D+00  0.680872D+00 -0.430057D+01 -0.188111D+01
      6  -0.254789D+00  0.723551D+01 -0.732747D+01  0.647871D+01 -0.700395D+01
                86            87            88            89            90 
      1  -0.281160D+01 -0.261914D+01  0.173756D+01 -0.389843D+01 -0.270254D+01
      2  -0.329104D+01  0.101404D+02 -0.117855D+02  0.780515D+01  0.144980D+02
      3   0.610264D+01 -0.752130D+01  0.100480D+02 -0.390672D+01 -0.117955D+02
      4  -0.407982D+01 -0.763401D+01 -0.907605D+01 -0.105698D+02  0.967005D+01
      5  -0.371389D+01  0.185209D+02 -0.577522D+01  0.159575D+02  0.844174D+01
      6  -0.160530D+01  0.601225D+01  0.718387D+01  0.668983D+01 -0.874963D+01
                91            92            93            94            95 
      1  -0.314127D+00 -0.627258D+00  0.203424D+00 -0.553254D+00 -0.485115D+01
      2  -0.395521D+01  0.122792D+01 -0.161365D+01  0.253648D+01 -0.109929D+01
      3   0.426933D+01 -0.600665D+00  0.141022D+01 -0.198323D+01  0.595044D+01
      4  -0.210406D+00  0.220709D+01  0.643576D+00  0.158787D+01  0.390960D-01
      5   0.175842D+01 -0.127369D+01  0.814550D+01 -0.294547D+01  0.233716D+01
      6  -0.860438D+00  0.107677D+01  0.549029D+00  0.270716D+01 -0.328924D+01
                96            97            98            99           100 
      1   0.776372D+01 -0.205736D+01  0.287365D+01 -0.212454D+02  0.537250D+00
      2   0.867886D+01 -0.190882D+01  0.461905D+01 -0.198563D+02  0.446305D+01
      3  -0.164426D+02  0.396618D+01 -0.749271D+01  0.411018D+02 -0.500030D+01
      4   0.194978D+01  0.684462D+00  0.172621D+01 -0.115863D+01  0.881080D+01
      5  -0.436465D+01  0.714768D+01 -0.100445D+01  0.855014D+01  0.505114D+01
      6   0.574161D+01 -0.181163D+00  0.587887D+01  0.140127D+00  0.558000D+01
               101           102           103           104           105 
      1  -0.323775D+01 -0.210512D+01 -0.329302D+01 -0.179294D+02 -0.712564D+01
      2   0.698741D+01  0.107648D+01  0.683247D+01  0.280495D+02  0.694835D+01
      3  -0.374966D+01  0.102864D+01 -0.353945D+01 -0.101201D+02  0.177288D+00
      4   0.118488D+02  0.426193D+01  0.113162D+02  0.153175D+02  0.512816D+01
      5   0.600528D+01  0.502539D+01  0.542588D+01  0.652914D+01  0.414899D+01
      6   0.745274D+01  0.547827D+01  0.651130D+01  0.213647D+02  0.129315D+02
               106           107           108           109           110 
      1  -0.228071D+01 -0.340740D+01 -0.587588D+01  0.192910D+01 -0.314605D+01
      2   0.266509D+00  0.217862D+01  0.166250D+01  0.944003D+01  0.147204D+02
      3   0.201421D+01  0.122879D+01  0.421338D+01 -0.113691D+02 -0.115744D+02
      4   0.147177D+01  0.226055D+01  0.294830D+01  0.223802D+02  0.201682D+02
      5   0.247578D+01  0.268993D+01  0.323043D+01 -0.259373D+00 -0.146930D+00
      6   0.345416D+01  0.847531D+01  0.579672D+01  0.172567D+01  0.111131D+01
               111           112           113           114           115 
      1   0.554878D-01 -0.165617D+01 -0.555155D+01 -0.122258D+00 -0.249678D+00
      2  -0.334123D+00  0.860178D+01  0.154866D+02  0.305991D+00  0.117168D+01
      3   0.278636D+00 -0.694561D+01 -0.993500D+01 -0.183733D+00 -0.922002D+00
      4   0.356655D+00  0.128019D+02  0.129378D+02  0.224569D+00  0.267258D+01
      5   0.213015D+01 -0.211021D+00  0.188008D+00  0.928397D+00  0.286527D+01
      6   0.330647D+01  0.808513D+00  0.120424D+01  0.274715D+01  0.344836D+01
               116           117           118           119           120 
      1  -0.918352D+00 -0.116447D+01 -0.196303D+01 -0.170082D+01  0.387563D+01
      2   0.200529D+01  0.148336D+01  0.114400D+01  0.931931D+00 -0.133895D+01
      3  -0.108693D+01 -0.318890D+00  0.819027D+00  0.768891D+00 -0.253668D+01
      4   0.245936D+01  0.324151D+01  0.156744D+01  0.128474D+01  0.198847D+00
      5   0.201886D+01  0.520120D+00  0.989474D+00  0.958084D+00  0.773186D+00
      6   0.458269D+01  0.428319D+00 -0.136890D+01 -0.116074D+01  0.973879D+00
               121           122           123           124           125 
      1  -0.375515D+01 -0.860231D+01  0.832624D+01  0.624312D+01  0.851063D+01
      2   0.136429D+01  0.117165D+02 -0.544948D+01 -0.316006D+01 -0.612315D+01
      3   0.239087D+01 -0.311417D+01 -0.287677D+01 -0.308307D+01 -0.238748D+01
      4   0.667339D+01 -0.157795D+02  0.910004D+01 -0.295597D+01  0.107708D+02
      5  -0.951118D+00  0.959960D+01 -0.119792D+02  0.571531D+01 -0.112183D+02
      6   0.684526D+00 -0.111516D+02  0.113434D+02 -0.136173D+01  0.116605D+02
               126           127           128           129           130 
      1  -0.832723D+01  0.156759D+02 -0.449761D+01 -0.618996D+01 -0.557696D+01
      2   0.645686D+00 -0.680447D+01 -0.598135D+00  0.154469D+01 -0.737964D+00
      3   0.768155D+01 -0.887147D+01  0.509574D+01  0.464528D+01  0.631493D+01
      4  -0.105272D+02 -0.967954D+01  0.100302D+02  0.783525D+01  0.127903D+02
      5   0.143276D+02 -0.821659D+01  0.674871D+01  0.103600D+02  0.782839D+01
      6  -0.120149D+02  0.380030D+01 -0.252918D+01 -0.294143D+01 -0.363449D+01
               131           132           133           134           135 
      1   0.192298D+01  0.333737D+01 -0.130008D+02  0.426767D+01  0.344278D+01
      2   0.529321D+01  0.109088D+01  0.523246D+01  0.177626D+01 -0.287985D+01
      3  -0.721619D+01 -0.442826D+01  0.776837D+01 -0.604393D+01 -0.562937D+00
      4  -0.157032D+02 -0.846431D+01  0.136364D+02 -0.135189D+02 -0.118175D+02
      5  -0.753094D+01 -0.102401D+02  0.145458D+02 -0.111891D+02 -0.206961D+02
      6   0.572800D+01  0.762692D+01 -0.541876D+01  0.821788D+01  0.972906D+01
               136           137           138           139           140 
      1   0.442604D+02  0.115019D+02  0.108194D+02  0.233137D+02  0.829484D+01
      2  -0.260033D+02 -0.770682D+01 -0.868662D+01 -0.139041D+02 -0.419186D+01
      3  -0.182571D+02 -0.379507D+01 -0.213276D+01 -0.940955D+01 -0.410297D+01
      4   0.818293D+01  0.101888D+02  0.381508D+01  0.113953D+02  0.114760D+02
      5   0.156555D+02  0.581749D+01  0.127783D+02  0.103275D+02  0.518027D+01
      6   0.142411D+01  0.110830D+01  0.173440D+00  0.183868D+01  0.243492D+01
               141           142           143           144           145 
      1   0.639968D+01  0.126197D+02  0.449705D+01  0.716963D+01 -0.873975D+01
      2  -0.544207D+01 -0.991170D+01 -0.365794D+01 -0.666516D+01  0.727979D+01
      3  -0.957608D+00 -0.270803D+01 -0.839115D+00 -0.504472D+00  0.145996D+01
      4   0.392440D+01  0.393369D+01  0.397319D+01  0.134201D+01 -0.657275D+01
      5   0.689757D+01  0.139740D+02  0.267728D+01  0.955469D+01  0.800953D+01
      6   0.308036D+01  0.407794D+00  0.344194D+01  0.958050D+00 -0.664138D+01
               146           147           148           149           150 
      1   0.130799D+02 -0.836851D+01  0.101497D+02 -0.139922D+02  0.773651D+01
      2  -0.110868D+02  0.301397D+01 -0.769719D+01  0.161344D+02 -0.504877D+01
      3  -0.199306D+01  0.535453D+01 -0.245255D+01 -0.214225D+01 -0.268774D+01
      4   0.397020D+01 -0.579669D+00  0.632804D+01 -0.535746D-01  0.676195D+00
      5  -0.314338D+01  0.208931D+01 -0.403197D+01  0.217563D+01 -0.181967D+01
      6   0.102231D+02 -0.885270D+01  0.620048D+01 -0.125255D+02  0.845470D+01
               151           152           153           154           155 
      1  -0.490347D+01  0.674027D+01 -0.708517D+01  0.200219D+02  0.884563D+01
      2   0.261790D+01 -0.392772D+01 -0.109192D+00 -0.124748D+01  0.584367D+01
      3   0.228556D+01 -0.281255D+01  0.719436D+01 -0.187744D+02 -0.146893D+02
      4  -0.948852D+00  0.130050D+01 -0.175396D+01  0.243646D+02  0.212557D+02
      5   0.398900D+01 -0.214418D+01 -0.941506D-01 -0.716851D+01 -0.481658D+01
      6  -0.524142D+01  0.745067D+01 -0.653938D+01 -0.404567D+01 -0.384762D+01
               156           157           158           159           160 
      1   0.180555D+01  0.896776D+01  0.169025D+01  0.156450D+01  0.534486D+01
      2   0.240754D+01  0.496193D+01  0.133788D+02  0.519682D+00  0.123302D+01
      3  -0.421310D+01 -0.139297D+02 -0.150691D+02 -0.208418D+01 -0.657788D+01
      4   0.443166D+00  0.197704D+02  0.219314D+02  0.852624D+00  0.653554D+01
      5   0.626577D+01 -0.484742D+01 -0.355274D+01  0.204713D+01  0.348279D+01
      6   0.355867D+01 -0.298018D+01 -0.576813D+01  0.410616D+01  0.194081D+01
               161           162           163           164           165 
      1   0.160085D+01  0.222491D+01  0.433865D+01  0.183874D+00 -0.304845D+01
      2   0.293754D+01 -0.756759D+00 -0.641521D+01  0.248160D+01  0.927049D+01
      3  -0.453839D+01 -0.146815D+01  0.207656D+01 -0.266547D+01 -0.622204D+01
      4   0.676830D+01  0.327260D+01  0.129831D+01  0.417016D+01  0.127017D+00
      5   0.841502D+00  0.123779D+01 -0.100494D+02  0.213822D+01  0.129138D+02
      6   0.213191D+01  0.258672D+01 -0.847719D+00 -0.103398D+01  0.724135D+00
               166           167           168           169           170 
      1  -0.150478D+01 -0.396629D+00 -0.165985D+01 -0.328352D+01  0.716618D+00
      2   0.492995D+01 -0.326344D+01 -0.974883D+01  0.106424D+02 -0.672977D+01
      3  -0.342516D+01  0.366007D+01  0.114087D+02 -0.735883D+01  0.601315D+01
      4   0.314109D+01 -0.388893D+01 -0.246514D+01 -0.583063D+00 -0.352427D+01
      5   0.689537D+01 -0.427097D+01 -0.114437D+02  0.146367D+02 -0.486688D+01
      6  -0.915990D+00  0.506575D+01  0.351022D+01  0.874985D+00  0.555421D+01
               171 
      1  -0.883569D+01
      2  -0.232554D+02
      3   0.320911D+02
      4  -0.146275D+01
      5  -0.260401D+02
      6  -0.363604D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 00:18:50 2021, MaxMem= 10737418240 cpu:           20696.2 elap:            1295.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32467 -19.29891 -19.26754 -10.43221 -10.37148
 Alpha  occ. eigenvalues --  -10.36361 -10.33275 -10.30491 -10.29895  -1.22409
 Alpha  occ. eigenvalues --   -1.15344  -1.14219  -0.94606  -0.83663  -0.80999
 Alpha  occ. eigenvalues --   -0.80571  -0.69042  -0.66920  -0.63572  -0.60692
 Alpha  occ. eigenvalues --   -0.58366  -0.56684  -0.54825  -0.52349  -0.51095
 Alpha  occ. eigenvalues --   -0.49839  -0.48850  -0.48106  -0.47406  -0.45032
 Alpha  occ. eigenvalues --   -0.43521  -0.42336  -0.39823  -0.39058  -0.35504
 Alpha virt. eigenvalues --    0.03110   0.04054   0.04429   0.05043   0.06224
 Alpha virt. eigenvalues --    0.06355   0.06561   0.07040   0.07184   0.08295
 Alpha virt. eigenvalues --    0.09075   0.10575   0.11480   0.12368   0.13106
 Alpha virt. eigenvalues --    0.13372   0.13561   0.14014   0.14393   0.14724
 Alpha virt. eigenvalues --    0.14891   0.15896   0.16380   0.16715   0.17325
 Alpha virt. eigenvalues --    0.18351   0.18824   0.18946   0.19506   0.20053
 Alpha virt. eigenvalues --    0.20424   0.20848   0.21179   0.21523   0.23818
 Alpha virt. eigenvalues --    0.24529   0.25293   0.25540   0.26532   0.27069
 Alpha virt. eigenvalues --    0.27769   0.28487   0.29430   0.29676   0.29876
 Alpha virt. eigenvalues --    0.30736   0.32206   0.33106   0.33454   0.33971
 Alpha virt. eigenvalues --    0.34448   0.34571   0.35383   0.35863   0.36339
 Alpha virt. eigenvalues --    0.37346   0.37706   0.38167   0.38723   0.39452
 Alpha virt. eigenvalues --    0.40337   0.41058   0.42276   0.42465   0.42909
 Alpha virt. eigenvalues --    0.44674   0.44708   0.45004   0.45710   0.46563
 Alpha virt. eigenvalues --    0.46894   0.47916   0.48774   0.49081   0.49817
 Alpha virt. eigenvalues --    0.51364   0.51438   0.53079   0.53498   0.54764
 Alpha virt. eigenvalues --    0.55421   0.55551   0.57396   0.58001   0.58794
 Alpha virt. eigenvalues --    0.59382   0.59924   0.60177   0.61164   0.61729
 Alpha virt. eigenvalues --    0.62976   0.63827   0.64986   0.66268   0.66957
 Alpha virt. eigenvalues --    0.67647   0.68124   0.69657   0.69929   0.70669
 Alpha virt. eigenvalues --    0.71775   0.72373   0.72940   0.74630   0.75311
 Alpha virt. eigenvalues --    0.75759   0.76761   0.77077   0.78728   0.78815
 Alpha virt. eigenvalues --    0.79480   0.80046   0.81118   0.82740   0.84571
 Alpha virt. eigenvalues --    0.85041   0.85323   0.86228   0.86678   0.87686
 Alpha virt. eigenvalues --    0.88796   0.89932   0.91123   0.92692   0.93996
 Alpha virt. eigenvalues --    0.94595   0.96545   0.97808   0.98140   0.99299
 Alpha virt. eigenvalues --    1.00758   1.01952   1.03372   1.05925   1.07835
 Alpha virt. eigenvalues --    1.09308   1.10426   1.11140   1.12008   1.13605
 Alpha virt. eigenvalues --    1.15810   1.17396   1.18857   1.19832   1.21645
 Alpha virt. eigenvalues --    1.22973   1.25273   1.26196   1.28233   1.28828
 Alpha virt. eigenvalues --    1.30031   1.31141   1.33311   1.35434   1.35533
 Alpha virt. eigenvalues --    1.40121   1.42448   1.44076   1.46385   1.47321
 Alpha virt. eigenvalues --    1.50230   1.50945   1.52608   1.54006   1.56797
 Alpha virt. eigenvalues --    1.59144   1.59918   1.62384   1.63018   1.65134
 Alpha virt. eigenvalues --    1.66707   1.68353   1.69735   1.70823   1.72629
 Alpha virt. eigenvalues --    1.73944   1.74469   1.76627   1.78413   1.79308
 Alpha virt. eigenvalues --    1.80154   1.82877   1.84267   1.85224   1.85819
 Alpha virt. eigenvalues --    1.88008   1.88709   1.89523   1.92624   1.93239
 Alpha virt. eigenvalues --    1.93510   1.94141   1.99985   2.02059   2.03260
 Alpha virt. eigenvalues --    2.04800   2.06508   2.07363   2.12077   2.13143
 Alpha virt. eigenvalues --    2.13746   2.16767   2.17164   2.18719   2.19675
 Alpha virt. eigenvalues --    2.22151   2.23637   2.26062   2.27774   2.30286
 Alpha virt. eigenvalues --    2.31408   2.34184   2.35688   2.37033   2.38551
 Alpha virt. eigenvalues --    2.39026   2.40884   2.41746   2.44255   2.47580
 Alpha virt. eigenvalues --    2.49884   2.51515   2.52640   2.54690   2.56963
 Alpha virt. eigenvalues --    2.61481   2.62949   2.65977   2.67517   2.69066
 Alpha virt. eigenvalues --    2.73025   2.73495   2.75566   2.78801   2.80348
 Alpha virt. eigenvalues --    2.83890   2.88435   2.97684   2.98891   3.06537
 Alpha virt. eigenvalues --    3.11336   3.17260   3.28624   3.31202   3.35740
 Alpha virt. eigenvalues --    3.44996   3.47073   3.49828   3.50507   3.52863
 Alpha virt. eigenvalues --    3.54028   3.56918   3.61382   3.63582   3.66122
 Alpha virt. eigenvalues --    3.66775   3.76594   3.80941   3.88683   3.95921
 Alpha virt. eigenvalues --    4.12374   4.20607
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.737676  -0.044338  -0.075144  -0.046226   0.145857   0.033627
     2  C   -0.044338   6.536543   0.223431  -0.985843  -0.187404  -0.211685
     3  O   -0.075144   0.223431   8.359622  -0.036545   0.066876   0.015727
     4  C   -0.046226  -0.985843  -0.036545   7.778075  -0.931644  -0.020584
     5  C    0.145857  -0.187404   0.066876  -0.931644   8.932390  -0.299643
     6  C    0.033627  -0.211685   0.015727  -0.020584  -0.299643   5.162943
     7  O    0.013261   0.136341   0.007577  -0.273883  -0.099731   0.080235
     8  H    0.050130  -0.022638   0.029464  -0.624880   0.085036  -0.009690
     9  C   -0.034999  -0.143798   0.016220   0.247913  -0.558712  -0.030390
    10  C    0.033957   0.147854  -0.022345  -0.534810   0.413056  -0.263342
    11  H   -0.065604   0.045965  -0.009085   0.029448   0.353005  -0.174053
    12  H   -0.193357   0.008423  -0.003719   0.133215  -0.320938   0.261130
    13  H   -0.001843  -0.052473   0.005808   0.037234   0.004325  -0.016666
    14  H   -0.006194  -0.011161   0.000112  -0.033864   0.236773   0.048970
    15  H   -0.005938  -0.006350   0.000296   0.005464  -0.025801   0.011247
    16  H    0.013142   0.007081   0.000686  -0.026353   0.059331  -0.074532
    17  H    0.014853  -0.086072   0.007868   0.035246   0.370143  -0.064843
    18  H   -0.003059  -0.013346  -0.001915  -0.100659   0.108831   0.057053
    19  H   -0.000494   0.099447  -0.005596   0.068716  -0.227094  -0.030875
               7          8          9         10         11         12
     1  O    0.013261   0.050130  -0.034999   0.033957  -0.065604  -0.193357
     2  C    0.136341  -0.022638  -0.143798   0.147854   0.045965   0.008423
     3  O    0.007577   0.029464   0.016220  -0.022345  -0.009085  -0.003719
     4  C   -0.273883  -0.624880   0.247913  -0.534810   0.029448   0.133215
     5  C   -0.099731   0.085036  -0.558712   0.413056   0.353005  -0.320938
     6  C    0.080235  -0.009690  -0.030390  -0.263342  -0.174053   0.261130
     7  O    8.497314  -0.035539  -0.017699   0.021126  -0.029786   0.011516
     8  H   -0.035539   1.958551  -0.116658   0.168138   0.014507  -0.006149
     9  C   -0.017699  -0.116658   5.265387  -0.341212  -0.236820   0.117033
    10  C    0.021126   0.168138  -0.341212   5.097865   0.073548  -0.141633
    11  H   -0.029786   0.014507  -0.236820   0.073548   1.891226  -0.515670
    12  H    0.011516  -0.006149   0.117033  -0.141633  -0.515670   1.991328
    13  H    0.315884  -0.033381   0.009523  -0.010853   0.000188   0.001740
    14  H   -0.042511  -0.000761   0.127010  -0.070268  -0.022774   0.007339
    15  H    0.027370  -0.027476   0.271404  -0.059373  -0.006158   0.006845
    16  H    0.011969   0.002050   0.039377   0.119065  -0.013887  -0.006292
    17  H   -0.007962  -0.029115  -0.069047   0.001442   0.020152  -0.050369
    18  H    0.001815   0.020518   0.102397   0.093086   0.017776  -0.037200
    19  H    0.012139  -0.020858  -0.012741   0.276443  -0.013970   0.023468
              13         14         15         16         17         18
     1  O   -0.001843  -0.006194  -0.005938   0.013142   0.014853  -0.003059
     2  C   -0.052473  -0.011161  -0.006350   0.007081  -0.086072  -0.013346
     3  O    0.005808   0.000112   0.000296   0.000686   0.007868  -0.001915
     4  C    0.037234  -0.033864   0.005464  -0.026353   0.035246  -0.100659
     5  C    0.004325   0.236773  -0.025801   0.059331   0.370143   0.108831
     6  C   -0.016666   0.048970   0.011247  -0.074532  -0.064843   0.057053
     7  O    0.315884  -0.042511   0.027370   0.011969  -0.007962   0.001815
     8  H   -0.033381  -0.000761  -0.027476   0.002050  -0.029115   0.020518
     9  C    0.009523   0.127010   0.271404   0.039377  -0.069047   0.102397
    10  C   -0.010853  -0.070268  -0.059373   0.119065   0.001442   0.093086
    11  H    0.000188  -0.022774  -0.006158  -0.013887   0.020152   0.017776
    12  H    0.001740   0.007339   0.006845  -0.006292  -0.050369  -0.037200
    13  H    0.609483   0.005278  -0.002646   0.001760  -0.001297  -0.001149
    14  H    0.005278   1.767162  -0.395509  -0.415220  -0.025283   0.016918
    15  H   -0.002646  -0.395509   1.687338  -0.370350   0.018185   0.003424
    16  H    0.001760  -0.415220  -0.370350   1.741407   0.006776  -0.044844
    17  H   -0.001297  -0.025283   0.018185   0.006776   1.780144  -0.394988
    18  H   -0.001149   0.016918   0.003424  -0.044844  -0.394988   1.869643
    19  H    0.001938   0.010197  -0.036553   0.028374  -0.400749  -0.477159
              19
     1  O   -0.000494
     2  C    0.099447
     3  O   -0.005596
     4  C    0.068716
     5  C   -0.227094
     6  C   -0.030875
     7  O    0.012139
     8  H   -0.020858
     9  C   -0.012741
    10  C    0.276443
    11  H   -0.013970
    12  H    0.023468
    13  H    0.001938
    14  H    0.010197
    15  H   -0.036553
    16  H    0.028374
    17  H   -0.400749
    18  H   -0.477159
    19  H    1.903853
 Mulliken charges:
               1
     1  O   -0.565309
     2  C    0.560022
     3  O   -0.579336
     4  C    1.279979
     5  C   -2.124656
     6  C    1.525370
     7  O   -0.629436
     8  H   -0.401248
     9  C    1.365812
    10  C    0.998257
    11  H   -0.358007
    12  H   -0.286712
    13  H    0.127146
    14  H   -0.196212
    15  H   -0.095418
    16  H   -0.079539
    17  H   -0.125084
    18  H   -0.217140
    19  H   -0.198488
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.565309
     2  C    0.560022
     3  O   -0.579336
     4  C    0.878730
     5  C   -2.124656
     6  C    0.880651
     7  O   -0.502289
     9  C    0.994643
    10  C    0.457544
 Electronic spatial extent (au):  <R**2>=           1087.5389
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6701    Y=              0.2460    Z=              0.2442  Tot=              3.6864
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.0664   YY=            -53.3656   ZZ=            -52.5722
   XY=              5.6822   XZ=             -0.5785   YZ=              0.9554
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.0650   YY=              2.6358   ZZ=              3.4292
   XY=              5.6822   XZ=             -0.5785   YZ=              0.9554
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.7802  YYY=              5.4675  ZZZ=             -2.9097  XYY=              9.1443
  XXY=              8.5524  XXZ=             -6.0964  XZZ=              0.1944  YZZ=              1.6192
  YYZ=              1.3864  XYZ=             -2.8978
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -825.1681 YYYY=           -375.8330 ZZZZ=           -249.9132 XXXY=             16.0239
 XXXZ=            -15.3389 YYYX=             29.2910 YYYZ=              5.6476 ZZZX=              0.2371
 ZZZY=              5.3084 XXYY=           -174.5243 XXZZ=           -171.4431 YYZZ=           -107.1283
 XXYZ=             -0.0155 YYXZ=              5.0035 ZZXY=             -0.3026
 N-N= 4.970194218960D+02 E-N=-2.069661962558D+03  KE= 4.574921068667D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 00:18:51 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.38050933D+00 1.20939964D-01 9.20778122D-02
 Polarizability= 8.73560390D+01 2.37664587D+00 7.40382106D+01
                 4.08341163D+00 1.01509089D+00 7.13563145D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.0803   -2.0808        1.0193    1.0187
 2      2.0803    2.0808       -0.5643   -0.5648       -6.9754   -6.9746
 3     -1.0193   -1.0187        8.3204    8.3220        0.5639    0.5648
 4      0.5643    0.5648        0.0000    0.0000       -1.0198   -1.0187
 5     -1.3450   -1.3474        1.0198    1.0187       -2.0800   -2.0808
 6     -0.5639   -0.5648        2.0800    2.0808       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.2425    6.2425        3.0561    3.0561
 2      1.6943    1.6943        0.0000    0.0000        3.0561    3.0561
 3      1.6943    1.6943        6.2425    6.2425       -0.0000    0.0000
 4      6.2425    6.2425       -1.6943   -1.6943      -20.9239  -20.9239
 5     -3.0561   -3.0561       24.9661   24.9661        1.6943    1.6943
 6     -4.0422   -4.0422        3.0561    3.0561       -6.2425   -6.2425
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0074    0.0000        8.1378    8.3234       -4.3046   -4.0748
 2     -8.1596   -8.3234        2.1345    2.2591       27.5333   27.8985
 3      4.3224    4.0748      -33.4299  -33.2881       -2.3334   -2.2591
 4     -2.3445   -2.2591       -0.0405    0.0000        3.8718    4.0748
 5      5.2787    5.3896       -4.0229   -4.0748        8.1728    8.3234
 6      2.1566    2.2591       -8.2357   -8.3234       -0.1385    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1251    0.0000       -5.9208   -6.0156      -14.0978  -13.9504
 2      5.7250    6.0156        2.3701    1.9295       -7.0387   -6.7990
 3     14.0491   13.9504      -24.3064  -23.7769       -1.7932   -1.9295
 4     -1.7317   -1.9295        0.0020    0.0000       14.1038   13.9504
 5     30.7052   30.5760      -13.9493  -13.9504       -6.3269   -6.0156
 6      1.6997    1.9295        5.9613    6.0156       -0.1452    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.8320    6.0611       -6.1828   -6.0853       26.8285   26.8491
 2      5.9983    5.9814       -9.5901   -9.5303       26.9393   26.8491
 3      5.9962    5.9814       -6.0723   -6.0853       40.6384   40.4286
 4      3.3957    3.4450        0.1474    0.0797      -17.3247  -17.1376
 5     13.6566   13.5795      -28.3877  -27.9802       -0.0983   -0.0797
 6     45.4476   45.1178      -13.8256  -13.5795       -3.5520   -3.4450
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5123   -3.5133   -0.0002    0.0004    0.0006    7.4972
 Low frequencies ---   79.8270  183.5030  209.6441
 Diagonal vibrational polarizability:
       11.1112142      31.7701491      20.4269910
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.8238               183.5024               209.6440
 Red. masses --      5.3286                 3.6827                 1.1920
 Frc consts  --      0.0200                 0.0731                 0.0309
 IR Inten    --      3.4978                 0.6266                 0.1246
 RamAct Fr= 1--      0.6534                 0.5676                 0.1609
  Dep-P Fr= 1--      0.7489                 0.7213                 0.7249
  Dep-U Fr= 1--      0.8564                 0.8381                 0.8405
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0933                 0.0793                 0.0225
 AlphaG Fr= 1--      0.0003                -0.0032                -0.0004
 Gamma2 Fr= 1--     -0.0958                 0.1453                 0.0882
 Delta2 Fr= 1--     -0.0577                -0.0242                 0.0180
 Raman1 Fr= 1--       2.614                  2.270                  0.643
 ROA1   Fr= 1--     -11.044                 13.171                  9.043
 CID1   Fr= 1--      -4.225                  5.801                 14.053
 Raman2 Fr= 1--       1.119                  0.951                  0.270
 ROA2   Fr= 1--      -1.838                  3.681                  1.973
 CID2   Fr= 1--      -1.642                  3.869                  7.297
 Raman3 Fr= 1--       2.238                  1.903                  0.541
 ROA3   Fr= 1--     -11.044                 13.171                  9.043
 CID3   Fr= 1--      -4.934                  6.922                 16.720
 RC180  Fr= 1--       0.713                  0.676                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.11   0.06    -0.06  -0.17   0.23     0.02   0.00  -0.00
     2   6     0.03   0.01  -0.07    -0.01  -0.01   0.05     0.01   0.00   0.00
     3   8     0.08   0.19  -0.26     0.02   0.16  -0.09     0.00   0.02   0.01
     4   6     0.01  -0.08   0.06    -0.01   0.01   0.01    -0.01  -0.02  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02   0.02  -0.01     0.00  -0.02  -0.01
     6   6    -0.00  -0.15   0.07     0.03   0.11  -0.03     0.01  -0.01  -0.01
     7   8    -0.01   0.05   0.27     0.05  -0.05  -0.08    -0.04  -0.03  -0.02
     8   1     0.03  -0.25   0.09    -0.04   0.07  -0.00    -0.02  -0.01  -0.00
     9   6     0.08   0.04  -0.16    -0.02   0.06   0.10     0.04   0.06   0.05
    10   6    -0.19   0.06   0.02    -0.00  -0.12  -0.14    -0.03  -0.03  -0.03
    11   1    -0.01  -0.25   0.01     0.31   0.27   0.05     0.02  -0.01  -0.01
    12   1     0.00  -0.17   0.17    -0.10   0.21  -0.27     0.03  -0.02  -0.02
    13   1     0.03  -0.03   0.28     0.11  -0.13  -0.17    -0.06   0.01  -0.01
    14   1     0.20  -0.03  -0.20    -0.03   0.20   0.23    -0.07  -0.26  -0.30
    15   1     0.05   0.14  -0.24    -0.03  -0.09   0.20     0.43   0.47  -0.02
    16   1     0.07   0.07  -0.18    -0.02   0.12  -0.01    -0.22   0.08   0.55
    17   1    -0.25   0.02   0.13    -0.03  -0.24  -0.31    -0.01   0.04   0.07
    18   1    -0.20   0.09  -0.02    -0.08  -0.00  -0.20     0.06  -0.10  -0.10
    19   1    -0.24   0.14  -0.05     0.10  -0.25  -0.02    -0.17  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    218.4362               250.2513               278.6421
 Red. masses --      2.8721                 1.2778                 2.6334
 Frc consts  --      0.0807                 0.0472                 0.1205
 IR Inten    --      1.3322                 1.3949                13.9168
 RamAct Fr= 1--      0.2187                 0.2880                 0.4123
  Dep-P Fr= 1--      0.7332                 0.7485                 0.6693
  Dep-U Fr= 1--      0.8461                 0.8562                 0.8019
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0006
 Beta2  Fr= 1--      0.0308                 0.0411                 0.0551
 AlphaG Fr= 1--     -0.0010                 0.0002                 0.0002
 Gamma2 Fr= 1--     -0.1359                 0.0215                 0.0322
 Delta2 Fr= 1--      0.0533                 0.0580                -0.1668
 Raman1 Fr= 1--       0.875                  1.152                  1.649
 ROA1   Fr= 1--     -11.343                  3.923                 -2.246
 CID1   Fr= 1--     -12.966                  3.406                 -1.362
 Raman2 Fr= 1--       0.370                  0.493                  0.661
 ROA2   Fr= 1--      -3.688                  0.053                  2.107
 CID2   Fr= 1--      -9.966                  0.108                  3.187
 Raman3 Fr= 1--       0.740                  0.986                  1.322
 ROA3   Fr= 1--     -11.343                  3.923                 -2.246
 CID3   Fr= 1--     -15.324                  3.978                 -1.698
 RC180  Fr= 1--       0.692                  0.712                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.14   0.10     0.01  -0.03   0.02    -0.02   0.05  -0.04
     2   6    -0.02  -0.03  -0.03     0.01   0.01  -0.02    -0.07  -0.00   0.03
     3   8    -0.02  -0.08  -0.01    -0.01  -0.03   0.03    -0.07   0.11   0.01
     4   6     0.00   0.06  -0.05     0.00   0.02  -0.03    -0.04  -0.02   0.02
     5   6     0.01   0.04  -0.06     0.01   0.00  -0.02    -0.04   0.00  -0.03
     6   6     0.00   0.04  -0.05     0.01  -0.04  -0.00    -0.04  -0.02  -0.02
     7   8    -0.01   0.15   0.11    -0.08   0.06   0.02     0.25  -0.02   0.04
     8   1     0.00  -0.05  -0.03     0.01  -0.02  -0.03    -0.11  -0.04   0.02
     9   6    -0.07  -0.08  -0.05     0.02   0.02  -0.00    -0.10  -0.08  -0.03
    10   6     0.18   0.05  -0.01     0.04   0.00  -0.02     0.05   0.01   0.01
    11   1     0.16   0.10  -0.02     0.01  -0.08  -0.03    -0.08  -0.06  -0.04
    12   1    -0.11   0.10  -0.15     0.01  -0.05   0.04    -0.00  -0.04   0.04
    13   1    -0.04   0.17   0.21    -0.12   0.13   0.07     0.39  -0.30   0.01
    14   1    -0.20  -0.21  -0.23     0.01  -0.03  -0.06    -0.22  -0.28  -0.26
    15   1     0.02   0.08  -0.11     0.11   0.09  -0.01     0.05   0.15  -0.10
    16   1    -0.09  -0.18   0.17    -0.03   0.03   0.09    -0.16  -0.18   0.27
    17   1     0.33   0.33   0.14    -0.09  -0.35  -0.41     0.03  -0.13  -0.21
    18   1     0.41  -0.23  -0.01    -0.33   0.35   0.18    -0.12   0.14   0.17
    19   1    -0.06   0.04  -0.10     0.55   0.01   0.17     0.34   0.02   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    310.0365               349.9609               367.2846
 Red. masses --      2.2932                 2.3697                 2.3850
 Frc consts  --      0.1299                 0.1710                 0.1896
 IR Inten    --      3.0351                 4.1394                 1.1630
 RamAct Fr= 1--      1.2038                 1.1102                 0.6300
  Dep-P Fr= 1--      0.6345                 0.3085                 0.5989
  Dep-U Fr= 1--      0.7764                 0.4715                 0.7491
 Alpha2 Fr= 1--      0.0025                 0.0111                 0.0018
 Beta2  Fr= 1--      0.1558                 0.0872                 0.0787
 AlphaG Fr= 1--      0.0082                -0.0026                -0.0079
 Gamma2 Fr= 1--      0.2363                 0.1926                -0.1495
 Delta2 Fr= 1--      0.0884                 0.1533                -0.0377
 Raman1 Fr= 1--       4.815                  4.441                  2.520
 ROA1   Fr= 1--      25.515                 23.400                -15.553
 CID1   Fr= 1--       5.299                  5.269                 -6.171
 Raman2 Fr= 1--       1.869                  1.047                  0.944
 ROA2   Fr= 1--       4.964                  3.397                 -3.286
 CID2   Fr= 1--       2.656                  3.244                 -3.481
 Raman3 Fr= 1--       3.738                  2.094                  1.888
 ROA3   Fr= 1--      25.515                 23.400                -15.553
 CID3   Fr= 1--       6.825                 11.175                 -8.238
 RC180  Fr= 1--       0.553                 -0.057                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.03   0.02     0.06  -0.02   0.00     0.05  -0.06  -0.04
     2   6     0.06  -0.01   0.02     0.05   0.02  -0.03    -0.01  -0.05  -0.01
     3   8     0.09  -0.07  -0.07     0.04  -0.03   0.02    -0.04   0.08   0.04
     4   6     0.04   0.01   0.07     0.04   0.04  -0.07    -0.03  -0.10  -0.03
     5   6     0.01   0.02   0.07     0.02   0.02  -0.06    -0.01  -0.06  -0.07
     6   6     0.03   0.17   0.00     0.04  -0.08  -0.00     0.06   0.06  -0.14
     7   8    -0.04  -0.04  -0.02     0.07   0.08  -0.01    -0.03  -0.10   0.02
     8   1     0.07   0.06   0.06     0.02   0.00  -0.06    -0.06  -0.15  -0.02
     9   6    -0.06  -0.14  -0.07    -0.12  -0.08   0.16    -0.00   0.01   0.06
    10   6    -0.11   0.03   0.04    -0.15   0.06  -0.07     0.01   0.15   0.10
    11   1     0.12   0.38   0.13     0.02  -0.19  -0.08     0.19   0.26  -0.02
    12   1    -0.03   0.24  -0.23     0.07  -0.11   0.11     0.04   0.11  -0.38
    13   1    -0.04   0.02  -0.11    -0.04   0.20   0.27    -0.14   0.04   0.25
    14   1    -0.17  -0.32  -0.29    -0.39   0.05   0.20    -0.03   0.12   0.15
    15   1    -0.09   0.06  -0.21    -0.05  -0.26   0.30     0.07  -0.10   0.16
    16   1     0.01  -0.33   0.13    -0.10  -0.16   0.24    -0.05   0.09   0.02
    17   1    -0.22  -0.14   0.00    -0.25  -0.03   0.06    -0.02   0.16   0.21
    18   1    -0.25   0.20   0.05    -0.17   0.14  -0.19    -0.08   0.13   0.36
    19   1     0.02   0.08   0.06    -0.24   0.10  -0.14     0.13   0.42  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    377.1064               469.7915               543.6895
 Red. masses --      1.2292                 3.9103                 3.6256
 Frc consts  --      0.1030                 0.5085                 0.6314
 IR Inten    --    121.7275                 1.3797                 4.7780
 RamAct Fr= 1--      0.8773                 1.5409                 1.1102
  Dep-P Fr= 1--      0.7332                 0.5967                 0.2465
  Dep-U Fr= 1--      0.8461                 0.7474                 0.3955
 Alpha2 Fr= 1--      0.0003                 0.0044                 0.0133
 Beta2  Fr= 1--      0.1237                 0.1919                 0.0732
 AlphaG Fr= 1--      0.0007                -0.0067                -0.0134
 Gamma2 Fr= 1--      0.0116                 0.0801                -0.5796
 Delta2 Fr= 1--      0.0245                 0.1975                -0.2936
 Raman1 Fr= 1--       3.509                  6.164                  4.441
 ROA1   Fr= 1--       1.902                 14.009                -65.034
 CID1   Fr= 1--       0.542                  2.273                -14.644
 Raman2 Fr= 1--       1.485                  2.303                  0.878
 ROA2   Fr= 1--       0.083                  0.343                -11.562
 CID2   Fr= 1--       0.056                  0.149                -13.164
 Raman3 Fr= 1--       2.969                  4.607                  1.757
 ROA3   Fr= 1--       1.902                 14.009                -65.034
 CID3   Fr= 1--       0.641                  3.041                -37.025
 RC180  Fr= 1--       0.692                  0.495                 -0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.01    -0.04  -0.10  -0.06     0.00  -0.11  -0.09
     2   6    -0.00   0.00   0.02    -0.05   0.03  -0.15     0.04  -0.08  -0.09
     3   8     0.01   0.01  -0.03    -0.15   0.08   0.10    -0.04   0.13   0.12
     4   6    -0.01  -0.00   0.02     0.08   0.05  -0.10     0.15  -0.07   0.03
     5   6    -0.01   0.01   0.02     0.07  -0.09   0.12     0.07   0.18   0.07
     6   6    -0.02   0.01   0.02    -0.04   0.06  -0.01    -0.08   0.04   0.08
     7   8     0.05  -0.06  -0.06     0.08   0.14  -0.03    -0.07  -0.13   0.03
     8   1    -0.03   0.04   0.01     0.27   0.01  -0.10     0.40  -0.14   0.04
     9   6     0.00   0.01  -0.03     0.17  -0.10   0.02    -0.05   0.01  -0.01
    10   6     0.02  -0.03  -0.00    -0.11  -0.12   0.10     0.05   0.09  -0.12
    11   1    -0.04  -0.01   0.02    -0.01   0.31   0.15    -0.12  -0.09   0.01
    12   1    -0.02   0.01   0.04    -0.13   0.14  -0.25    -0.23   0.07   0.30
    13   1    -0.36   0.46   0.78     0.04   0.14   0.16    -0.14   0.06  -0.09
    14   1     0.03  -0.02  -0.05     0.31  -0.17  -0.01    -0.24  -0.04  -0.11
    15   1    -0.03   0.05  -0.06     0.12   0.00  -0.07    -0.23  -0.01  -0.09
    16   1     0.01   0.00  -0.04     0.18  -0.07  -0.03     0.14  -0.27   0.05
    17   1     0.04  -0.02  -0.05    -0.23  -0.24   0.21     0.05   0.06  -0.20
    18   1     0.03  -0.04  -0.01    -0.14   0.00  -0.07     0.10   0.12  -0.31
    19   1     0.03  -0.08   0.03    -0.21  -0.11   0.06    -0.02  -0.10  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    579.6519               688.2170               751.1844
 Red. masses --      4.0426                 7.8432                 7.2719
 Frc consts  --      0.8003                 2.1887                 2.4177
 IR Inten    --      3.9117                 7.7938                 9.0921
 RamAct Fr= 1--      8.5207                 3.0070                 4.5985
  Dep-P Fr= 1--      0.0677                 0.7474                 0.0626
  Dep-U Fr= 1--      0.1268                 0.8555                 0.1178
 Alpha2 Fr= 1--      0.1613                 0.0001                 0.0881
 Beta2  Fr= 1--      0.1801                 0.4287                 0.0903
 AlphaG Fr= 1--     -0.0290                -0.0022                -0.0047
 Gamma2 Fr= 1--     -0.0930                 0.4933                 1.0442
 Delta2 Fr= 1--     -0.0646                 0.0761                 0.3350
 Raman1 Fr= 1--      34.083                 12.028                 18.394
 ROA1   Fr= 1--     -10.990                 49.796                110.966
 CID1   Fr= 1--      -0.322                  4.140                  6.033
 Raman2 Fr= 1--       2.161                  5.145                  1.083
 ROA2   Fr= 1--      -1.715                 11.232                 22.381
 CID2   Fr= 1--      -0.793                  2.183                 20.657
 Raman3 Fr= 1--       4.322                 10.290                  2.167
 ROA3   Fr= 1--     -10.990                 49.796                110.966
 CID3   Fr= 1--      -2.543                  4.839                 51.210
 RC180  Fr= 1--      -0.746                  0.711                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11   0.07   0.04     0.28  -0.13  -0.15     0.00   0.08   0.20
     2   6    -0.14   0.01   0.10    -0.23  -0.18   0.05    -0.08   0.41  -0.37
     3   8    -0.10  -0.02  -0.09    -0.24  -0.06  -0.19    -0.19  -0.15  -0.02
     4   6    -0.02   0.04   0.11    -0.13   0.13   0.14     0.08  -0.06   0.00
     5   6     0.19   0.01  -0.05     0.03   0.15   0.14    -0.01   0.01   0.02
     6   6     0.00  -0.02  -0.04     0.34  -0.02   0.09     0.19  -0.00   0.05
     7   8    -0.03  -0.06  -0.00    -0.01   0.06  -0.04     0.04  -0.20   0.05
     8   1    -0.16   0.09   0.10     0.03   0.25   0.11     0.44  -0.30   0.05
     9   6     0.25  -0.16   0.08    -0.07   0.08   0.01    -0.05   0.04  -0.01
    10   6     0.04   0.13  -0.14    -0.00  -0.00   0.05    -0.00   0.01  -0.01
    11   1    -0.06  -0.15  -0.12     0.33   0.01   0.11     0.22  -0.04   0.01
    12   1    -0.07  -0.02   0.14     0.20   0.05   0.10     0.31  -0.05   0.02
    13   1    -0.06   0.02  -0.02    -0.02   0.05   0.04    -0.00  -0.13   0.05
    14   1     0.06  -0.12   0.07    -0.10   0.05  -0.03    -0.11   0.04  -0.03
    15   1     0.25  -0.26   0.14    -0.15   0.10  -0.04    -0.09   0.02  -0.02
    16   1     0.30  -0.28   0.15     0.00  -0.02   0.02    -0.01  -0.02   0.01
    17   1    -0.11   0.01   0.05    -0.01  -0.08  -0.09     0.04   0.05  -0.04
    18   1    -0.04   0.27  -0.22     0.04   0.06  -0.18     0.01  -0.02   0.02
    19   1    -0.03   0.26  -0.24    -0.06  -0.26   0.18     0.02  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    823.7417               896.1400               921.0452
 Red. masses --      3.1326                 4.6541                 2.3121
 Frc consts  --      1.2524                 2.2021                 1.1556
 IR Inten    --      5.7539                11.0102                14.4445
 RamAct Fr= 1--     11.3545                 4.8174                 2.9062
  Dep-P Fr= 1--      0.0438                 0.1387                 0.5355
  Dep-U Fr= 1--      0.0840                 0.2436                 0.6975
 Alpha2 Fr= 1--      0.2276                 0.0766                 0.0120
 Beta2  Fr= 1--      0.1589                 0.1956                 0.3378
 AlphaG Fr= 1--      0.1420                 0.0433                -0.0083
 Gamma2 Fr= 1--      0.0159                -1.0413                 0.0518
 Delta2 Fr= 1--     -0.0445                -0.4819                -0.4569
 Raman1 Fr= 1--      45.418                 19.270                 11.625
 ROA1   Fr= 1--       0.100               -115.387                 -9.650
 CID1   Fr= 1--       0.002                 -5.988                 -0.830
 Raman2 Fr= 1--       1.907                  2.347                  4.054
 ROA2   Fr= 1--       0.737                -21.136                  4.899
 CID2   Fr= 1--       0.387                 -9.005                  1.208
 Raman3 Fr= 1--       3.814                  4.695                  8.108
 ROA3   Fr= 1--       0.100               -115.387                 -9.650
 CID3   Fr= 1--       0.026                -24.579                 -1.190
 RC180  Fr= 1--      -0.832                 -0.513                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.01  -0.02    -0.02   0.19   0.09     0.00  -0.04  -0.05
     2   6     0.04   0.01  -0.07    -0.12  -0.21   0.13     0.00   0.03  -0.03
     3   8     0.02  -0.03   0.00    -0.10   0.03  -0.07    -0.01   0.00   0.01
     4   6    -0.19  -0.05  -0.14     0.26  -0.14  -0.20     0.09   0.08   0.20
     5   6    -0.06  -0.04   0.02    -0.01  -0.07  -0.04    -0.07  -0.12   0.00
     6   6    -0.02   0.08   0.27     0.05   0.02   0.16    -0.02  -0.06   0.05
     7   8     0.01  -0.00   0.01    -0.02   0.06   0.01     0.02   0.02  -0.03
     8   1    -0.34  -0.09  -0.13     0.49  -0.24  -0.20     0.26   0.16   0.19
     9   6     0.07  -0.07   0.02    -0.05   0.00  -0.04    -0.05  -0.06  -0.02
    10   6     0.02   0.11  -0.11     0.00  -0.00  -0.03    -0.00   0.05  -0.13
    11   1    -0.06   0.32   0.43     0.06   0.19   0.26    -0.04   0.18   0.20
    12   1    -0.06   0.14   0.04     0.27  -0.03  -0.09    -0.02  -0.02  -0.22
    13   1     0.10  -0.28   0.20    -0.08   0.23  -0.11    -0.05   0.24  -0.16
    14   1     0.18  -0.05   0.09    -0.06   0.09   0.04     0.22  -0.00   0.12
    15   1     0.20  -0.07   0.08     0.11  -0.05   0.07     0.23   0.01   0.07
    16   1    -0.04   0.07   0.01    -0.17   0.13  -0.01    -0.33   0.32  -0.08
    17   1     0.08   0.14  -0.23     0.00   0.01   0.02     0.10   0.20  -0.11
    18   1     0.07   0.08  -0.16    -0.00  -0.03   0.04    -0.01  -0.08   0.18
    19   1     0.04   0.02  -0.06     0.04   0.08  -0.07     0.15   0.23  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    946.4418               967.7559               993.1853
 Red. masses --      1.8478                 1.3905                 1.5088
 Frc consts  --      0.9752                 0.7673                 0.8769
 IR Inten    --      5.9654                 1.8178                 8.6242
 RamAct Fr= 1--      3.2684                 1.9057                 1.0038
  Dep-P Fr= 1--      0.7444                 0.7500                 0.3730
  Dep-U Fr= 1--      0.8535                 0.8571                 0.5433
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0082
 Beta2  Fr= 1--      0.4649                 0.2722                 0.0909
 AlphaG Fr= 1--      0.0028                 0.0000                -0.0049
 Gamma2 Fr= 1--      0.1407                 0.1380                -0.0996
 Delta2 Fr= 1--      0.8059                 0.0913                -0.0637
 Raman1 Fr= 1--      13.074                  7.623                  4.015
 ROA1   Fr= 1--      39.298                 16.174                -11.596
 CID1   Fr= 1--       3.006                  2.122                 -2.888
 Raman2 Fr= 1--       5.579                  3.267                  1.091
 ROA2   Fr= 1--      -3.070                  2.583                 -1.880
 CID2   Fr= 1--      -0.550                  0.791                 -1.724
 Raman3 Fr= 1--      11.158                  6.534                  2.181
 ROA3   Fr= 1--      39.298                 16.174                -11.596
 CID3   Fr= 1--       3.522                  2.476                 -5.316
 RC180  Fr= 1--       0.707                  0.714                  0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.03  -0.02    -0.00  -0.00   0.00     0.04  -0.00   0.03
     2   6     0.01   0.00  -0.03    -0.00   0.01   0.00    -0.00  -0.04  -0.02
     3   8    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.01   0.03   0.04    -0.01   0.01  -0.02    -0.01  -0.05   0.00
     5   6     0.07   0.00  -0.12     0.07  -0.05   0.02    -0.08   0.02   0.02
     6   6     0.02   0.12   0.10    -0.00   0.02   0.01     0.01   0.11  -0.03
     7   8     0.00  -0.01  -0.00    -0.00  -0.02   0.01     0.00   0.04  -0.02
     8   1    -0.07   0.02   0.04    -0.07   0.01  -0.02     0.15  -0.04  -0.00
     9   6    -0.00   0.01  -0.10    -0.11   0.01   0.02     0.02  -0.04   0.09
    10   6    -0.01  -0.12   0.04     0.12  -0.02  -0.02    -0.04  -0.03  -0.07
    11   1    -0.04  -0.14  -0.05    -0.03  -0.03  -0.01     0.01  -0.30  -0.28
    12   1    -0.18   0.16   0.45    -0.03   0.02   0.08     0.03   0.03   0.42
    13   1    -0.01   0.02  -0.03     0.00  -0.04   0.02     0.02  -0.03   0.04
    14   1    -0.30   0.24   0.04     0.26  -0.10   0.02     0.33  -0.23  -0.00
    15   1     0.33  -0.24   0.21    -0.13   0.25  -0.14    -0.17   0.18  -0.14
    16   1    -0.17   0.09   0.11    -0.16   0.20  -0.18     0.10  -0.03  -0.10
    17   1    -0.06  -0.09   0.25    -0.25  -0.33   0.40     0.09   0.18   0.02
    18   1    -0.11  -0.11   0.27    -0.10   0.34  -0.24    -0.08  -0.17   0.34
    19   1     0.06   0.19  -0.11    -0.13   0.25  -0.27     0.16   0.26  -0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1033.8928              1038.1729              1087.4922
 Red. masses --      1.7100                 7.3739                 3.7495
 Frc consts  --      1.0770                 4.6826                 2.6126
 IR Inten    --     24.7673                91.4600                80.3640
 RamAct Fr= 1--      2.2094                 1.2122                 1.9698
  Dep-P Fr= 1--      0.6204                 0.7500                 0.4316
  Dep-U Fr= 1--      0.7657                 0.8571                 0.6029
 Alpha2 Fr= 1--      0.0052                 0.0000                 0.0130
 Beta2  Fr= 1--      0.2820                 0.1732                 0.1980
 AlphaG Fr= 1--     -0.0076                -0.0001                 0.0257
 Gamma2 Fr= 1--     -0.9499                 0.2569                 0.3911
 Delta2 Fr= 1--     -0.2894                -0.1737                 0.6097
 Raman1 Fr= 1--       8.838                  4.849                  7.879
 ROA1   Fr= 1--    -100.449                 19.102                 57.056
 CID1   Fr= 1--     -11.366                  3.940                  7.241
 Raman2 Fr= 1--       3.384                  2.078                  2.375
 ROA2   Fr= 1--     -20.482                  7.555                  4.508
 CID2   Fr= 1--      -6.053                  3.636                  1.898
 Raman3 Fr= 1--       6.767                  4.156                  4.751
 ROA3   Fr= 1--    -100.449                 19.102                 57.056
 CID3   Fr= 1--     -14.844                  4.596                 12.010
 RC180  Fr= 1--       0.531                  0.714                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.00   0.01     0.41  -0.00   0.13    -0.07  -0.03  -0.08
     2   6    -0.02   0.04   0.01    -0.10   0.05   0.07    -0.00   0.01   0.07
     3   8    -0.02  -0.02  -0.01    -0.07  -0.05  -0.08     0.02   0.01   0.00
     4   6    -0.00  -0.07   0.05     0.11   0.16  -0.10     0.04   0.29  -0.20
     5   6     0.05  -0.04  -0.00    -0.03   0.03  -0.05    -0.01   0.01  -0.01
     6   6    -0.09  -0.05   0.04    -0.42   0.07  -0.11     0.08  -0.05   0.06
     7   8     0.00   0.05  -0.04     0.00  -0.13   0.09     0.00  -0.18   0.14
     8   1    -0.11  -0.03   0.04     0.04   0.09  -0.07    -0.09   0.30  -0.18
     9   6     0.02   0.12   0.01     0.02  -0.09  -0.03     0.02   0.03   0.07
    10   6     0.01  -0.06  -0.06    -0.01  -0.00   0.06    -0.06  -0.08  -0.07
    11   1    -0.03   0.20   0.20    -0.15  -0.01  -0.15     0.05   0.10   0.15
    12   1    -0.08  -0.01  -0.22    -0.36   0.04   0.00    -0.01   0.02  -0.15
    13   1     0.03  -0.02   0.03    -0.10   0.18  -0.14    -0.07   0.05  -0.08
    14   1    -0.34   0.03  -0.18     0.14   0.01   0.10     0.04  -0.13  -0.08
    15   1    -0.34  -0.00  -0.08     0.28  -0.08   0.08    -0.27   0.13  -0.12
    16   1     0.34  -0.34   0.10    -0.18   0.17  -0.03     0.20  -0.12  -0.05
    17   1    -0.01   0.03   0.18    -0.02  -0.06  -0.05     0.07   0.16   0.07
    18   1    -0.09  -0.07   0.23     0.02   0.03  -0.11    -0.11  -0.25   0.40
    19   1     0.11   0.31  -0.24    -0.09  -0.16   0.12     0.17   0.24  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1165.1679              1193.1153              1211.5288
 Red. masses --      1.8237                 2.0792                 1.4269
 Frc consts  --      1.4587                 1.7438                 1.2340
 IR Inten    --     79.2410                65.0355                 5.0833
 RamAct Fr= 1--      3.9449                 3.2974                 2.3059
  Dep-P Fr= 1--      0.6632                 0.7349                 0.6527
  Dep-U Fr= 1--      0.7975                 0.8472                 0.7899
 Alpha2 Fr= 1--      0.0061                 0.0009                 0.0040
 Beta2  Fr= 1--      0.5243                 0.4656                 0.3036
 AlphaG Fr= 1--     -0.0116                -0.0105                -0.0065
 Gamma2 Fr= 1--     -0.5687                -1.2758                 1.4162
 Delta2 Fr= 1--      0.2181                -1.1856                 1.1405
 Raman1 Fr= 1--      15.780                 13.189                  9.224
 ROA1   Fr= 1--     -47.616               -160.419                172.454
 CID1   Fr= 1--      -3.018                -12.163                 18.697
 Raman2 Fr= 1--       6.292                  5.587                  3.643
 ROA2   Fr= 1--     -15.393                -21.136                 24.866
 CID2   Fr= 1--      -2.446                 -3.783                  6.826
 Raman3 Fr= 1--      12.584                 11.174                  7.285
 ROA3   Fr= 1--     -47.616               -160.419                172.454
 CID3   Fr= 1--      -3.784                -14.357                 23.671
 RC180  Fr= 1--       0.595                  0.694                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.05   0.06    -0.00  -0.05  -0.04    -0.00   0.05  -0.02
     2   6     0.02  -0.13  -0.09    -0.04   0.14   0.16    -0.00   0.02   0.01
     3   8     0.02   0.01   0.02     0.02  -0.02  -0.02     0.02  -0.00   0.00
     4   6    -0.08   0.09   0.00    -0.01  -0.04  -0.07    -0.03  -0.03   0.00
     5   6    -0.02   0.03   0.11     0.05  -0.10   0.10    -0.00   0.12  -0.03
     6   6    -0.04  -0.02  -0.04     0.04   0.01  -0.06    -0.01  -0.10   0.03
     7   8    -0.02  -0.02   0.00    -0.02   0.01  -0.01    -0.01   0.01  -0.02
     8   1     0.46   0.26  -0.03     0.58   0.07  -0.09     0.24  -0.10   0.01
     9   6     0.03   0.00  -0.07    -0.02   0.02  -0.04    -0.00  -0.05   0.01
    10   6     0.03  -0.03  -0.04    -0.02   0.04  -0.03    -0.00  -0.04   0.00
    11   1     0.02  -0.02  -0.05    -0.26   0.00  -0.05     0.61  -0.02   0.04
    12   1     0.29  -0.15  -0.14    -0.35   0.14   0.23    -0.60   0.19  -0.17
    13   1     0.10  -0.40   0.31     0.10  -0.36   0.28     0.03  -0.11   0.08
    14   1    -0.18   0.16   0.02    -0.13   0.10  -0.00     0.15  -0.04   0.07
    15   1     0.17  -0.17   0.11     0.03  -0.06   0.04     0.10   0.04   0.01
    16   1    -0.05  -0.01   0.13    -0.09   0.05   0.05    -0.06   0.07  -0.05
    17   1    -0.03  -0.02   0.15     0.05   0.09  -0.11    -0.01  -0.01   0.10
    18   1    -0.08   0.07   0.04     0.04  -0.04  -0.02    -0.05  -0.02   0.09
    19   1     0.03   0.18  -0.16     0.05   0.00   0.01     0.01   0.05  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1245.9290              1283.4839              1294.1981
 Red. masses --      2.1819                 2.1176                 1.6661
 Frc consts  --      1.9956                 2.0553                 1.6442
 IR Inten    --     32.7523                15.6401                 4.9932
 RamAct Fr= 1--      2.3067                 2.9781                 3.9319
  Dep-P Fr= 1--      0.6033                 0.6447                 0.7475
  Dep-U Fr= 1--      0.7526                 0.7840                 0.8555
 Alpha2 Fr= 1--      0.0063                 0.0056                 0.0002
 Beta2  Fr= 1--      0.2893                 0.3891                 0.5606
 AlphaG Fr= 1--     -0.0025                 0.0257                 0.0023
 Gamma2 Fr= 1--      0.4197                -0.3562                -0.9188
 Delta2 Fr= 1--      0.1935                -0.1870                -0.1402
 Raman1 Fr= 1--       9.227                 11.912                 15.728
 ROA1   Fr= 1--      46.487                -40.179                -92.690
 CID1   Fr= 1--       5.038                 -3.373                 -5.893
 Raman2 Fr= 1--       3.472                  4.670                  6.727
 ROA2   Fr= 1--       8.526                 -7.052                -20.929
 CID2   Fr= 1--       2.456                 -1.510                 -3.111
 Raman3 Fr= 1--       6.944                  9.339                 13.455
 ROA3   Fr= 1--      46.487                -40.179                -92.690
 CID3   Fr= 1--       6.695                 -4.302                 -6.889
 RC180  Fr= 1--       0.505                  0.568                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.04   0.04    -0.00  -0.03  -0.01    -0.00   0.03  -0.00
     2   6     0.02  -0.06  -0.07    -0.01   0.06   0.05     0.01  -0.02  -0.03
     3   8    -0.03   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.00   0.00
     4   6     0.04   0.00   0.00    -0.01  -0.07  -0.05     0.03  -0.02  -0.03
     5   6     0.25  -0.03   0.04     0.03   0.19   0.17    -0.06  -0.11   0.17
     6   6    -0.02  -0.02  -0.02     0.01  -0.04  -0.05     0.01   0.01  -0.03
     7   8    -0.03   0.01  -0.01     0.02   0.00  -0.00     0.02  -0.00   0.03
     8   1    -0.45   0.23  -0.04    -0.35  -0.32  -0.01    -0.41   0.18  -0.07
     9   6    -0.09  -0.01   0.00    -0.01  -0.06  -0.06     0.02   0.03  -0.06
    10   6    -0.10   0.02  -0.02    -0.01  -0.06  -0.06     0.02   0.03  -0.03
    11   1     0.06   0.02   0.00    -0.33   0.13   0.07     0.49  -0.24  -0.21
    12   1    -0.12   0.03   0.01     0.23  -0.12  -0.12    -0.32   0.13   0.13
    13   1     0.08  -0.33   0.25    -0.06   0.23  -0.18    -0.07   0.27  -0.20
    14   1     0.08   0.01   0.06     0.07   0.16   0.18    -0.16   0.12  -0.02
    15   1    -0.03   0.19  -0.09     0.26  -0.03   0.06    -0.01  -0.17   0.06
    16   1    -0.19   0.20  -0.14    -0.20   0.11   0.06    -0.04  -0.04   0.18
    17   1     0.12   0.24  -0.19     0.05   0.13   0.18     0.02   0.04  -0.03
    18   1     0.08  -0.27   0.15    -0.13  -0.04   0.21    -0.01   0.08  -0.07
    19   1     0.20  -0.10   0.17     0.13   0.17  -0.13    -0.00   0.06  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1332.5114              1384.7115              1406.6120
 Red. masses --      1.6185                 1.3790                 1.3765
 Frc consts  --      1.6932                 1.5579                 1.6046
 IR Inten    --     22.0033                10.5004                11.7436
 RamAct Fr= 1--      2.3805                 0.6788                 1.4673
  Dep-P Fr= 1--      0.6999                 0.7298                 0.7464
  Dep-U Fr= 1--      0.8235                 0.8438                 0.8548
 Alpha2 Fr= 1--      0.0021                 0.0002                 0.0001
 Beta2  Fr= 1--      0.3267                 0.0955                 0.2090
 AlphaG Fr= 1--      0.0007                 0.0036                 0.0002
 Gamma2 Fr= 1--     -1.9299                -0.2658                 0.8987
 Delta2 Fr= 1--     -0.4976                -0.6202                 0.5541
 Raman1 Fr= 1--       9.522                  2.715                  5.869
 ROA1   Fr= 1--    -201.197                -45.365                104.010
 CID1   Fr= 1--     -21.130                -16.708                 17.721
 Raman2 Fr= 1--       3.921                  1.146                  2.509
 ROA2   Fr= 1--     -42.338                 -1.418                 17.137
 CID2   Fr= 1--     -10.799                 -1.237                  6.831
 Raman3 Fr= 1--       7.841                  2.291                  5.017
 ROA3   Fr= 1--    -201.197                -45.365                104.010
 CID3   Fr= 1--     -25.658                -19.801                 20.731
 RC180  Fr= 1--       0.647                  0.688                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.03  -0.03     0.02   0.04   0.05     0.01   0.01   0.02
     2   6    -0.01   0.06   0.03     0.02  -0.05  -0.06     0.00  -0.03  -0.01
     3   8    -0.02  -0.01  -0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
     4   6     0.14  -0.09   0.01    -0.06  -0.06  -0.00     0.08   0.07   0.01
     5   6    -0.09   0.07  -0.03    -0.01   0.02  -0.03    -0.07  -0.01   0.01
     6   6     0.00   0.01   0.02     0.07  -0.06  -0.06     0.04  -0.02  -0.03
     7   8    -0.04   0.01   0.01     0.02  -0.00   0.03    -0.02   0.00  -0.03
     8   1    -0.31   0.75  -0.15     0.11   0.51  -0.12    -0.24  -0.37   0.10
     9   6     0.01  -0.02  -0.00     0.00  -0.00   0.01     0.01   0.01  -0.01
    10   6     0.03  -0.02   0.01     0.01   0.00  -0.01     0.05   0.06  -0.07
    11   1     0.04  -0.04  -0.01    -0.46   0.29   0.20    -0.18   0.10   0.06
    12   1     0.16  -0.05  -0.08    -0.41   0.13   0.20    -0.22   0.08   0.12
    13   1     0.08  -0.34   0.26    -0.06   0.26  -0.19     0.06  -0.26   0.19
    14   1     0.07  -0.02   0.02     0.02  -0.00   0.01     0.04  -0.03  -0.03
    15   1     0.08  -0.04   0.04    -0.01   0.03  -0.01    -0.01  -0.09   0.05
    16   1     0.01  -0.03   0.01     0.02  -0.02   0.00     0.02  -0.05   0.07
    17   1    -0.03  -0.06   0.08    -0.03  -0.02   0.07    -0.24  -0.20   0.27
    18   1    -0.05   0.07   0.01    -0.02  -0.00   0.06    -0.04  -0.09   0.40
    19   1    -0.07   0.00  -0.04    -0.01  -0.06   0.02    -0.16  -0.37   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.7829              1438.3100              1488.4390
 Red. masses --      1.3100                 1.2851                 1.0477
 Frc consts  --      1.5340                 1.5664                 1.3676
 IR Inten    --      2.9727                 6.2536                 1.8055
 RamAct Fr= 1--      0.4744                 0.7123                 3.3910
  Dep-P Fr= 1--      0.4757                 0.6211                 0.7351
  Dep-U Fr= 1--      0.6447                 0.7662                 0.8474
 Alpha2 Fr= 1--      0.0026                 0.0017                 0.0009
 Beta2  Fr= 1--      0.0510                 0.0910                 0.4789
 AlphaG Fr= 1--      0.0019                -0.0026                -0.0053
 Gamma2 Fr= 1--      0.3612                 0.3036                 0.5486
 Delta2 Fr= 1--      0.2259                 0.2364                 0.2320
 Raman1 Fr= 1--       1.898                  2.849                 13.564
 ROA1   Fr= 1--      41.901                 36.715                 60.087
 CID1   Fr= 1--      22.082                 12.886                  4.430
 Raman2 Fr= 1--       0.612                  1.092                  5.747
 ROA2   Fr= 1--       6.861                  5.396                 11.310
 CID2   Fr= 1--      11.216                  4.943                  1.968
 Raman3 Fr= 1--       1.223                  2.183                 11.494
 ROA3   Fr= 1--      41.901                 36.715                 60.087
 CID3   Fr= 1--      34.250                 16.817                  5.228
 RC180  Fr= 1--       0.289                  0.532                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01     0.01   0.01   0.02     0.00   0.00   0.00
     2   6    -0.00   0.02   0.01     0.00  -0.03  -0.02     0.00  -0.00  -0.00
     3   8     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.05  -0.03  -0.01     0.05   0.05   0.01    -0.00   0.00   0.00
     5   6     0.05  -0.01   0.00    -0.04  -0.00   0.00     0.00   0.01  -0.01
     6   6    -0.03   0.02   0.02     0.04  -0.02  -0.02     0.01   0.00   0.01
     7   8     0.01  -0.00   0.01    -0.02   0.00  -0.02    -0.00  -0.00  -0.00
     8   1     0.13   0.15  -0.05    -0.17  -0.21   0.07     0.01   0.00  -0.00
     9   6    -0.11   0.06  -0.03    -0.06   0.04  -0.02     0.01  -0.01  -0.04
    10   6    -0.00   0.04  -0.04    -0.01  -0.06   0.07    -0.01   0.03   0.02
    11   1     0.13  -0.08  -0.06    -0.22   0.07   0.05    -0.06  -0.05  -0.02
    12   1     0.14  -0.05  -0.07    -0.22   0.08   0.04    -0.02   0.02  -0.09
    13   1    -0.03   0.14  -0.10     0.04  -0.17   0.12     0.00  -0.01   0.01
    14   1     0.47  -0.11   0.01     0.32  -0.09  -0.02     0.27   0.22   0.28
    15   1     0.34  -0.13   0.28     0.21  -0.13   0.20    -0.29   0.02  -0.17
    16   1     0.26  -0.41   0.05     0.18  -0.28   0.06    -0.16  -0.11   0.49
    17   1    -0.14  -0.09   0.15     0.22   0.15  -0.27    -0.18  -0.32  -0.19
    18   1     0.05  -0.14   0.17    -0.03   0.16  -0.32     0.27  -0.30  -0.01
    19   1     0.04  -0.19   0.12     0.01   0.34  -0.17     0.02   0.21  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1491.3312              1507.8031              1513.7035
 Red. masses --      1.0472                 1.0626                 1.0637
 Frc consts  --      1.3722                 1.4233                 1.4359
 IR Inten    --      2.8447                 7.5161                14.2884
 RamAct Fr= 1--      3.0662                 6.7972                 0.5901
  Dep-P Fr= 1--      0.7033                 0.7486                 0.7222
  Dep-U Fr= 1--      0.8258                 0.8562                 0.8387
 Alpha2 Fr= 1--      0.0025                 0.0002                 0.0003
 Beta2  Fr= 1--      0.4220                 0.9700                 0.0825
 AlphaG Fr= 1--      0.0054                -0.0005                 0.0011
 Gamma2 Fr= 1--      0.2023                -0.8690                 0.1379
 Delta2 Fr= 1--      0.0751                -0.7072                 0.2061
 Raman1 Fr= 1--      12.265                 27.189                  2.360
 ROA1   Fr= 1--      21.827               -106.058                 19.834
 CID1   Fr= 1--       1.780                 -3.901                  8.403
 Raman2 Fr= 1--       5.064                 11.640                  0.990
 ROA2   Fr= 1--       4.254                -15.200                  1.662
 CID2   Fr= 1--       0.840                 -1.306                  1.679
 Raman3 Fr= 1--      10.129                 23.279                  1.980
 ROA3   Fr= 1--      21.827               -106.058                 19.834
 CID3   Fr= 1--       2.155                 -4.556                 10.018
 RC180  Fr= 1--       0.652                  0.712                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.02   0.01
     5   6    -0.01   0.01  -0.01    -0.04   0.01   0.03    -0.03  -0.03  -0.03
     6   6     0.01   0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.01
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.06  -0.02   0.01    -0.00  -0.03   0.02
     9   6     0.02   0.03  -0.00    -0.00  -0.01   0.02    -0.01  -0.03  -0.02
    10   6    -0.03  -0.01  -0.02    -0.02   0.03   0.00    -0.02  -0.01  -0.02
    11   1    -0.07  -0.04  -0.02    -0.09  -0.07  -0.04     0.07   0.07   0.04
    12   1    -0.02   0.02  -0.07    -0.07   0.04  -0.08     0.00  -0.02   0.12
    13   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.01  -0.03   0.03
    14   1     0.17  -0.25  -0.21    -0.27  -0.02  -0.08    -0.00   0.36   0.35
    15   1    -0.28  -0.39   0.11     0.28   0.14   0.05     0.07   0.37  -0.21
    16   1    -0.21   0.18   0.19     0.17   0.01  -0.36     0.13  -0.26   0.13
    17   1    -0.03   0.15   0.37    -0.26  -0.29   0.08     0.05   0.24   0.36
    18   1     0.07   0.02  -0.28     0.37  -0.33  -0.22    -0.06   0.16  -0.23
    19   1     0.45  -0.04   0.19     0.35   0.22   0.02     0.32  -0.14   0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1520.9857              1844.7831              3032.7339
 Red. masses --      1.0873                12.5553                 1.0354
 Frc consts  --      1.4820                25.1749                 5.6107
 IR Inten    --      2.6033               401.2521                12.8896
 RamAct Fr= 1--      4.0777                22.7786                41.4684
  Dep-P Fr= 1--      0.6907                 0.2873                 0.0210
  Dep-U Fr= 1--      0.8170                 0.4463                 0.0412
 Alpha2 Fr= 1--      0.0042                 0.2426                 0.8773
 Beta2  Fr= 1--      0.5553                 1.6945                 0.2845
 AlphaG Fr= 1--     -0.0162                 0.1595                 0.0415
 Gamma2 Fr= 1--     -0.3727                 0.8285                 1.4306
 Delta2 Fr= 1--      0.0669                 0.8877                 1.1260
 Raman1 Fr= 1--      16.311                 91.114                165.874
 ROA1   Fr= 1--     -33.636                107.943                173.367
 CID1   Fr= 1--      -2.062                  1.185                  1.045
 Raman2 Fr= 1--       6.663                 20.334                  3.415
 ROA2   Fr= 1--      -9.479                 12.782                 25.326
 CID2   Fr= 1--      -1.423                  0.629                  7.417
 Raman3 Fr= 1--      13.327                 40.667                  6.829
 ROA3   Fr= 1--     -33.636                107.943                173.367
 CID3   Fr= 1--      -2.524                  2.654                 25.386
 RC180  Fr= 1--       0.634                 -0.107                 -0.918
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01    -0.03   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.01   0.01   0.01     0.79   0.02   0.23     0.00   0.00   0.00
     3   8     0.01  -0.00   0.00    -0.50  -0.03  -0.15    -0.00  -0.00  -0.00
     4   6     0.01   0.00  -0.00    -0.06   0.02  -0.01    -0.00   0.00   0.01
     5   6    -0.01   0.01   0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.06    -0.04  -0.01  -0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.02   0.00     0.15  -0.09   0.04    -0.00  -0.02  -0.09
     9   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    10   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.01   0.03  -0.03
    11   1     0.38   0.50   0.26     0.09   0.03  -0.02     0.00  -0.01   0.01
    12   1     0.19  -0.21   0.60    -0.00  -0.06  -0.00     0.01   0.01   0.00
    13   1     0.00  -0.01   0.01     0.01  -0.06   0.01     0.00  -0.00  -0.00
    14   1     0.04  -0.07  -0.06    -0.00   0.01   0.00    -0.04  -0.09   0.09
    15   1    -0.02  -0.09   0.05     0.01  -0.00   0.01     0.07  -0.10  -0.16
    16   1    -0.02   0.03   0.01    -0.00  -0.00   0.01     0.18   0.15   0.09
    17   1    -0.06  -0.11  -0.04    -0.01   0.00   0.03     0.46  -0.32   0.14
    18   1     0.11  -0.11  -0.06    -0.00   0.01  -0.01    -0.38  -0.31  -0.17
    19   1     0.06   0.11  -0.03     0.02   0.01   0.00    -0.16   0.26   0.42
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.9689              3048.9822              3061.5810
 Red. masses --      1.0393                 1.0840                 1.0601
 Frc consts  --      5.6513                 5.9372                 5.8545
 IR Inten    --     21.1158                33.0752                27.6090
 RamAct Fr= 1--    201.5198               101.0455               179.5005
  Dep-P Fr= 1--      0.0217                 0.1124                 0.0505
  Dep-U Fr= 1--      0.0425                 0.2021                 0.0962
 Alpha2 Fr= 1--      4.2560                 1.7160                 3.5411
 Beta2  Fr= 1--      1.4284                 3.4039                 2.8789
 AlphaG Fr= 1--      0.3989                 0.0327                -0.6834
 Gamma2 Fr= 1--     -4.2441                 1.3683                -4.1702
 Delta2 Fr= 1--     -2.6283                 0.6268                 3.8538
 Raman1 Fr= 1--     806.079                404.182                718.002
 ROA1   Fr= 1--    -491.538                151.416               -277.014
 CID1   Fr= 1--      -0.610                  0.375                 -0.386
 Raman2 Fr= 1--      17.141                 40.847                 34.547
 ROA2   Fr= 1--     -80.832                 27.825               -130.914
 CID2   Fr= 1--      -4.716                  0.681                 -3.789
 Raman3 Fr= 1--      34.282                 81.693                 69.094
 ROA3   Fr= 1--    -491.538                151.416               -277.014
 CID3   Fr= 1--     -14.338                  1.853                 -4.009
 RC180  Fr= 1--      -0.915                 -0.596                 -0.808
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.08     0.00   0.00   0.01
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.02   0.00  -0.07
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   1    -0.00   0.03   0.14     0.01   0.19   0.96    -0.00  -0.02  -0.08
     9   6    -0.05   0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.00
    10   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.00  -0.00   0.00
    11   1    -0.00   0.04  -0.06     0.00  -0.04   0.06     0.04  -0.47   0.72
    12   1    -0.02  -0.04  -0.00     0.03   0.06   0.01     0.20   0.45   0.05
    13   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.09  -0.24   0.25     0.01   0.03  -0.03    -0.00  -0.01   0.01
    15   1     0.18  -0.25  -0.42    -0.02   0.02   0.04     0.03  -0.03  -0.05
    16   1     0.48   0.41   0.24    -0.05  -0.04  -0.02     0.04   0.03   0.02
    17   1    -0.17   0.12  -0.05     0.07  -0.05   0.02    -0.04   0.03  -0.01
    18   1     0.12   0.10   0.05    -0.08  -0.07  -0.03     0.01   0.01   0.00
    19   1     0.06  -0.09  -0.14    -0.01   0.02   0.03     0.01  -0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.8927              3096.7778              3102.7623
 Red. masses --      1.1008                 1.1017                 1.1023
 Frc consts  --      6.2040                 6.2251                 6.2523
 IR Inten    --     11.0639                22.5410                28.9349
 RamAct Fr= 1--     38.3720                49.9158                75.6126
  Dep-P Fr= 1--      0.7144                 0.6796                 0.7394
  Dep-U Fr= 1--      0.8334                 0.8092                 0.8502
 Alpha2 Fr= 1--      0.0236                 0.0620                 0.0137
 Beta2  Fr= 1--      5.3299                 6.7321                10.7139
 AlphaG Fr= 1--      0.0184                -0.0223                -0.0085
 Gamma2 Fr= 1--      6.6388                -0.3200                 2.0830
 Delta2 Fr= 1--      5.2164                -2.6567                 1.3802
 Raman1 Fr= 1--     153.488                199.663                302.450
 ROA1   Fr= 1--     804.251               -115.732                244.132
 CID1   Fr= 1--       5.240                 -0.580                  0.807
 Raman2 Fr= 1--      63.959                 80.785                128.567
 ROA2   Fr= 1--     117.600                 13.574                 38.950
 CID2   Fr= 1--       1.839                  0.168                  0.303
 Raman3 Fr= 1--     127.917                161.571                257.135
 ROA3   Fr= 1--     804.251               -115.732                244.132
 CID3   Fr= 1--       6.287                 -0.716                  0.949
 RC180  Fr= 1--       0.667                  0.618                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00   0.01   0.05
     9   6    -0.02  -0.06  -0.06     0.00   0.00   0.00    -0.00  -0.02  -0.01
    10   6    -0.00   0.02   0.02    -0.09   0.03  -0.00    -0.02  -0.06  -0.06
    11   1    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.04   0.07
    12   1     0.01   0.03   0.00     0.00   0.00   0.00    -0.04  -0.10  -0.01
    13   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.02   0.06  -0.09    -0.00  -0.01   0.01     0.01   0.02  -0.03
    15   1    -0.27   0.34   0.58     0.02  -0.03  -0.05    -0.07   0.09   0.15
    16   1     0.45   0.37   0.21    -0.02  -0.02  -0.01     0.12   0.10   0.06
    17   1     0.05  -0.03   0.02     0.61  -0.44   0.20    -0.02   0.00  -0.02
    18   1    -0.11  -0.09  -0.04     0.34   0.30   0.15     0.49   0.39   0.19
    19   1     0.07  -0.10  -0.17     0.11  -0.20  -0.33    -0.22   0.34   0.56
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3117.7164              3129.9267              3780.5682
 Red. masses --      1.1076                 1.0995                 1.0663
 Frc consts  --      6.3432                 6.3464                 8.9794
 IR Inten    --     18.3509                15.3012                47.1106
 RamAct Fr= 1--     75.2789                57.3587                94.5003
  Dep-P Fr= 1--      0.5686                 0.6742                 0.2034
  Dep-U Fr= 1--      0.7250                 0.8054                 0.3380
 Alpha2 Fr= 1--      0.2579                 0.0770                 1.2719
 Beta2  Fr= 1--      9.0963                 7.6994                 5.3233
 AlphaG Fr= 1--      0.0976                -0.0913                 0.3940
 Gamma2 Fr= 1--      4.2612               -11.4722                 3.6041
 Delta2 Fr= 1--      3.1364                -6.8189                -0.4700
 Raman1 Fr= 1--     301.115                229.435                378.001
 ROA1   Fr= 1--     509.440              -1319.536                330.954
 CID1   Fr= 1--       1.692                 -5.751                  0.876
 Raman2 Fr= 1--     109.155                 92.392                 63.880
 ROA2   Fr= 1--      77.178               -220.781                 90.258
 CID2   Fr= 1--       0.707                 -2.390                  1.413
 Raman3 Fr= 1--     218.311                184.785                127.760
 ROA3   Fr= 1--     509.440              -1319.536                330.954
 CID3   Fr= 1--       2.334                 -7.141                  2.590
 RC180  Fr= 1--       0.450                  0.611                 -0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.03  -0.09   0.02     0.00   0.01  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.06  -0.03  -0.01
     8   1     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     9   6     0.00   0.01  -0.01     0.04   0.05  -0.07     0.00   0.00  -0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.02   0.24  -0.40     0.00  -0.04   0.07    -0.00   0.00  -0.00
    12   1     0.34   0.78   0.12    -0.04  -0.09  -0.01     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.89   0.43   0.17
    14   1    -0.03  -0.08   0.08    -0.21  -0.62   0.64     0.00  -0.00   0.00
    15   1    -0.02   0.02   0.03    -0.11   0.17   0.25    -0.00   0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.15  -0.12  -0.09     0.00   0.00   0.00
    17   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.08   0.06   0.03    -0.01  -0.01  -0.00     0.00   0.00   0.00
    19   1    -0.03   0.04   0.07    -0.00  -0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   727.011211206.344911436.23905
           X            0.99953   0.02996  -0.00641
           Y           -0.03014   0.99909  -0.03012
           Z            0.00550   0.03030   0.99953
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11914     0.07180     0.06031
 Rotational constants (GHZ):           2.48241     1.49604     1.25657
 Zero-point vibrational energy     416296.8 (Joules/Mol)
                                   99.49733 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.85   264.02   301.63   314.28   360.06
          (Kelvin)            400.90   446.07   503.52   528.44   542.57
                              675.93   782.25   833.99   990.19  1080.79
                             1185.18  1289.35  1325.18  1361.72  1392.38
                             1428.97  1487.54  1493.70  1564.66  1676.42
                             1716.63  1743.12  1792.61  1846.65  1862.06
                             1917.19  1992.29  2023.80  2028.36  2069.41
                             2141.53  2145.69  2169.39  2177.88  2188.36
                             2654.23  4363.43  4370.96  4386.81  4404.93
                             4449.98  4455.57  4464.18  4485.70  4503.27
                             5439.39
 
 Zero-point correction=                           0.158559 (Hartree/Particle)
 Thermal correction to Energy=                    0.167578
 Thermal correction to Enthalpy=                  0.168522
 Thermal correction to Gibbs Free Energy=         0.125282
 Sum of electronic and zero-point Energies=           -460.395085
 Sum of electronic and thermal Energies=              -460.386067
 Sum of electronic and thermal Enthalpies=            -460.385123
 Sum of electronic and thermal Free Energies=         -460.428362
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.156             34.174             91.005
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.623
 Vibrational            103.379             28.212             21.880
 Vibration     1          0.600              1.963              3.895
 Vibration     2          0.631              1.862              2.292
 Vibration     3          0.642              1.826              2.047
 Vibration     4          0.646              1.813              1.972
 Vibration     5          0.663              1.762              1.729
 Vibration     6          0.679              1.713              1.542
 Vibration     7          0.699              1.655              1.362
 Vibration     8          0.727              1.575              1.166
 Vibration     9          0.740              1.540              1.091
 Vibration    10          0.748              1.519              1.051
 Vibration    11          0.827              1.317              0.738
 Vibration    12          0.899              1.154              0.557
 Vibration    13          0.936              1.075              0.486
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.236654D-57        -57.625885       -132.688505
 Total V=0       0.202381D+16         15.306170         35.243758
 Vib (Bot)       0.101033D-70        -70.995535       -163.473261
 Vib (Bot)    1  0.258005D+01          0.411627          0.947807
 Vib (Bot)    2  0.109320D+01          0.038701          0.089113
 Vib (Bot)    3  0.947532D+00         -0.023406         -0.053895
 Vib (Bot)    4  0.906135D+00         -0.042807         -0.098567
 Vib (Bot)    5  0.779809D+00         -0.108012         -0.248706
 Vib (Bot)    6  0.690488D+00         -0.160844         -0.370357
 Vib (Bot)    7  0.609891D+00         -0.214747         -0.494474
 Vib (Bot)    8  0.527213D+00         -0.278014         -0.640150
 Vib (Bot)    9  0.496605D+00         -0.303989         -0.699960
 Vib (Bot)   10  0.480422D+00         -0.318377         -0.733090
 Vib (Bot)   11  0.359103D+00         -0.444781         -1.024146
 Vib (Bot)   12  0.290389D+00         -0.537020         -1.236535
 Vib (Bot)   13  0.262977D+00         -0.580083         -1.335690
 Vib (V=0)       0.864012D+02          1.936520          4.459002
 Vib (V=0)    1  0.312805D+01          0.495273          1.140409
 Vib (V=0)    2  0.170212D+01          0.230991          0.531875
 Vib (V=0)    3  0.157136D+01          0.196276          0.451943
 Vib (V=0)    4  0.153493D+01          0.186089          0.428485
 Vib (V=0)    5  0.142634D+01          0.154222          0.355110
 Vib (V=0)    6  0.135251D+01          0.131141          0.301962
 Vib (V=0)    7  0.128865D+01          0.110135          0.253595
 Vib (V=0)    8  0.122660D+01          0.088704          0.204250
 Vib (V=0)    9  0.120471D+01          0.080883          0.186239
 Vib (V=0)   10  0.119340D+01          0.076787          0.176807
 Vib (V=0)   11  0.111559D+01          0.047506          0.109386
 Vib (V=0)   12  0.107821D+01          0.032703          0.075301
 Vib (V=0)   13  0.106494D+01          0.027325          0.062918
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.401759D+06          5.603965         12.903607
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 333333333                                       1      1111111111111111 111                                   
     7                 111000000                                       8      5554444433222211 00099998  8 7 6   55  4333322221      
     8                 310996433                                       4      2109831083984196 83396429  2 5 8   84  7765175118   8  
     1                 083732983                                       5      1481880753436235 78438616  4 1 8   04  0770090804   0  
 
     X                 XXXXXXXXX                                       X      XXXXXXXXXXXXXXXX XXXXXXXX  X X X   XX  XXXXXXXXXX   X  
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000006397   -0.000008211   -0.000009308
      2        6           0.000012749    0.000009556    0.000007637
      3        8           0.000000733   -0.000001253    0.000001695
      4        6           0.000002007    0.000002439   -0.000002158
      5        6          -0.000007822   -0.000021516    0.000012119
      6        6          -0.000015533    0.000007155    0.000001297
      7        8          -0.000009814   -0.000002999   -0.000007863
      8        1          -0.000003633   -0.000000214   -0.000001295
      9        6          -0.000000410   -0.000005760    0.000000999
     10        6           0.000004665   -0.000002906    0.000007077
     11        1           0.000003889    0.000000172   -0.000002462
     12        1          -0.000000168   -0.000000853    0.000003972
     13        1           0.000000738   -0.000000030   -0.000000129
     14        1           0.000002706    0.000010061    0.000001354
     15        1          -0.000003097    0.000000945    0.000001028
     16        1           0.000000820   -0.000000660   -0.000000890
     17        1           0.000005043    0.000008163   -0.000010454
     18        1           0.000000758    0.000001185   -0.000001486
     19        1          -0.000000030    0.000004725   -0.000001134
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000021516 RMS     0.000006184
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.923324D+02  0.203741D+01  0.416168D+01
      2   0.203741D+01  0.783832D+02  0.112955D+01
      3   0.416168D+01  0.112955D+01  0.756884D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.354171D+01  0.993113D+01  0.454442D+01
      2   0.401925D+01  0.694122D+01 -0.272864D+02
      3  -0.105600D+02  0.292160D+02 -0.834676D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.344209D+02  0.453391D+01  0.152501D+02
      2   0.202410D+02  0.462482D+00 -0.251785D+02
      3   0.141799D+02 -0.499639D+01  0.992837D+01
      4  -0.865599D+01 -0.610940D+02  0.738054D+01
      5   0.271086D+02  0.918764D+01 -0.670755D+02
      6  -0.299536D+01  0.259531D+00 -0.147413D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.400477D+01 -0.189902D+01 -0.103173D+01 -0.141923D+01  0.555574D+00
      2  -0.189902D+01  0.260091D+00  0.530305D+00  0.555574D+00 -0.385101D+01
      3  -0.103173D+01  0.530305D+00 -0.429323D+00  0.359910D-01 -0.122650D+01
                 6             7             8             9            10 
      1   0.359910D-01 -0.632948D+00 -0.300623D+00  0.269523D+00 -0.725780D+01
      2  -0.122650D+01 -0.300623D+00 -0.174711D+01 -0.145449D+01 -0.171156D+01
      3  -0.859752D+00  0.269523D+00 -0.145449D+01 -0.289756D+01 -0.350584D+01
                11            12            13            14            15 
      1  -0.171156D+01 -0.350584D+01 -0.134505D+01  0.579130D+00  0.917061D+00
      2  -0.867669D+00  0.726364D+00  0.579130D+00  0.111276D+00  0.295634D+00
      3   0.726364D+00 -0.327060D+00  0.917061D+00  0.295634D+00  0.548553D+00
                16            17            18            19            20 
      1  -0.211847D+01  0.803507D+00  0.110675D+00  0.172862D+02  0.654088D+00
      2   0.803507D+00  0.514797D+00  0.822506D+00  0.654088D+00  0.304227D+01
      3   0.110675D+00  0.822506D+00  0.142974D+01  0.403704D+01  0.193408D+00
                21            22            23            24            25 
      1   0.403704D+01  0.153119D+00  0.321151D+01 -0.349146D+00  0.283409D+01
      2   0.193408D+00  0.321151D+01  0.928855D+00  0.961922D+00 -0.950616D-01
      3   0.290890D+01 -0.349146D+00  0.961922D+00  0.729351D-01  0.406935D+01
                26            27            28            29            30 
      1  -0.950616D-01  0.406935D+01  0.126661D+01  0.330882D+01  0.139752D+01
      2   0.815994D+00  0.368382D-01  0.330882D+01 -0.344662D+00 -0.155796D+00
      3   0.368382D-01  0.283182D+01  0.139752D+01 -0.155796D+00  0.324191D+00
                31            32            33            34            35 
      1   0.237476D+01 -0.441311D+00  0.259493D+00  0.143585D+01 -0.204020D+00
      2  -0.441311D+00 -0.235552D+01  0.145419D+01 -0.204020D+00  0.260604D+01
      3   0.259493D+00  0.145419D+01 -0.750380D+00 -0.251853D-01 -0.209260D+01
                36            37            38            39            40 
      1  -0.251853D-01 -0.143815D+01 -0.340288D+01  0.107821D+01 -0.304327D+01
      2  -0.209260D+01 -0.340288D+01 -0.550936D+00 -0.264390D+01 -0.234461D+00
      3  -0.618573D+01  0.107821D+01 -0.264390D+01 -0.129912D+01 -0.260084D+01
                41            42            43            44            45 
      1  -0.234461D+00 -0.260084D+01  0.112921D+01 -0.293313D+01 -0.985571D+00
      2   0.336483D+00 -0.951100D+00 -0.293313D+01 -0.191440D+01  0.392646D+01
      3  -0.951100D+00  0.478079D+01 -0.985571D+00  0.392646D+01  0.654506D+00
                46            47            48            49            50 
      1  -0.211392D+01  0.128154D+01 -0.106907D+01  0.587701D+00  0.235734D+01
      2   0.128154D+01  0.252915D+01  0.786395D+00  0.235734D+01  0.271998D+01
      3  -0.106907D+01  0.786395D+00  0.256860D+01  0.110625D+01  0.168485D+01
                51            52            53            54            55 
      1   0.110625D+01 -0.122845D+01  0.115140D+01  0.159605D+01 -0.437795D+01
      2   0.168485D+01  0.115140D+01  0.673453D+00 -0.313004D+01 -0.203847D+01
      3  -0.447925D+01  0.159605D+01 -0.313004D+01  0.239452D+01 -0.103062D+01
                56            57            58            59            60 
      1  -0.203847D+01 -0.103062D+01 -0.830188D+00 -0.106383D+01 -0.236847D+00
      2  -0.306824D+01 -0.978514D-01 -0.106383D+01  0.453303D+01 -0.150827D+01
      3  -0.978514D-01 -0.840095D+00 -0.236847D+00 -0.150827D+01 -0.967066D-01
                61            62            63            64            65 
      1  -0.183673D+01 -0.437803D+00 -0.606158D-01 -0.186446D+00 -0.912016D-01
      2  -0.437803D+00 -0.328233D+01  0.181142D+01 -0.912016D-01 -0.121461D-01
      3  -0.606158D-01  0.181142D+01 -0.886312D+00  0.112068D+01  0.516134D-01
                66            67            68            69            70 
      1   0.112068D+01  0.347195D-01  0.109362D+00  0.395590D-01  0.131912D+01
      2   0.516134D-01  0.109362D+00  0.131032D+01  0.112188D+01  0.353601D+00
      3   0.169784D-01  0.395590D-01  0.112188D+01  0.102459D+01  0.171981D+00
                71            72            73            74            75 
      1   0.353601D+00  0.171981D+00  0.134064D+01  0.341420D+01 -0.149848D+00
      2   0.179288D+01  0.132852D+01  0.341420D+01  0.112738D+00  0.337782D+01
      3   0.132852D+01  0.829093D+01 -0.149848D+00  0.337782D+01  0.106030D+01
                76            77            78            79            80 
      1   0.390916D+01  0.854638D+00  0.336995D+01 -0.223023D+00  0.325829D+01
      2   0.854638D+00 -0.127848D+01  0.124784D+01  0.325829D+01  0.110853D+01
      3   0.336995D+01  0.124784D+01 -0.362954D+01  0.186132D+01 -0.378120D+01
                81            82            83            84            85 
      1   0.186132D+01  0.378243D+00  0.435112D+01 -0.834978D+00  0.402103D+01
      2  -0.378120D+01  0.435112D+01  0.148506D+00  0.301859D+01  0.368057D+00
      3  -0.253805D+00 -0.834978D+00  0.301859D+01  0.457391D+00  0.314181D+01
                86            87            88            89            90 
      1   0.368057D+00  0.314181D+01 -0.359009D+00  0.339597D+01  0.916263D+00
      2   0.119024D+01  0.453646D+00  0.339597D+01  0.151768D+01 -0.329502D+01
      3   0.453646D+00 -0.426379D+01  0.916263D+00 -0.329502D+01 -0.204001D+01
                91            92            93            94            95 
      1  -0.426214D-01  0.417127D+00 -0.111829D+01  0.119034D+01 -0.718950D+00
      2   0.417127D+00 -0.292998D+00  0.707714D-01 -0.718950D+00  0.945153D+00
      3  -0.111829D+01  0.707714D-01 -0.697677D+00  0.183905D+00 -0.177400D+01
                96            97            98            99           100 
      1   0.183905D+00 -0.163711D+01  0.889720D-01 -0.947587D+00 -0.188637D+01
      2  -0.177400D+01  0.889720D-01 -0.130362D+01  0.151914D+01 -0.198745D+01
      3   0.362558D+01 -0.947587D+00  0.151914D+01 -0.803805D+01 -0.609283D+00
               101           102           103           104           105 
      1  -0.198745D+01 -0.609283D+00 -0.221141D+01 -0.222708D+01 -0.806887D+00
      2  -0.242912D+01 -0.968763D+00 -0.222708D+01 -0.691727D+01 -0.238469D+01
      3  -0.968763D+00 -0.116699D+01 -0.806887D+00 -0.238469D+01 -0.169302D+01
               106           107           108           109           110 
      1  -0.178820D+00 -0.422462D+00 -0.877130D+00  0.478174D+01  0.340383D+01
      2  -0.422462D+00 -0.103917D+01 -0.100553D+01  0.340383D+01  0.442898D+01
      3  -0.877130D+00 -0.100553D+01 -0.160455D+01  0.271017D-02 -0.159966D+00
               111           112           113           114           115 
      1   0.271017D-02  0.252148D+01  0.218262D+01 -0.546820D-02  0.533003D+00
      2  -0.159966D+00  0.218262D+01  0.372505D+01 -0.263951D-01  0.419973D+00
      3   0.947390D+00 -0.546820D-02 -0.263951D-01  0.595722D+00  0.586196D+00
               116           117           118           119           120 
      1   0.419973D+00  0.586196D+00  0.677077D+00  0.234459D+00 -0.477686D+00
      2   0.643414D+00  0.729552D+00  0.234459D+00  0.539464D+00 -0.598340D+00
      3   0.729552D+00 -0.557935D-01 -0.477686D+00 -0.598340D+00  0.534774D+00
               121           122           123           124           125 
      1   0.976590D+00 -0.512890D+00 -0.302064D-01 -0.133568D+01  0.125436D+00
      2  -0.512890D+00  0.407588D+01 -0.241496D+01  0.125436D+00 -0.284904D+01
      3  -0.302064D-01 -0.241496D+01  0.275936D+01 -0.554912D+00  0.278749D+01
               126           127           128           129           130 
      1  -0.554912D+00 -0.287542D+01  0.113143D+01  0.133525D+01  0.146467D+01
      2   0.278749D+01  0.113143D+01 -0.124669D+01 -0.100097D+01 -0.172372D+01
      3  -0.372701D+01  0.133525D+01 -0.100097D+01 -0.136025D+01 -0.125380D+01
               131           132           133           134           135 
      1  -0.172372D+01 -0.125380D+01  0.306453D+01 -0.187841D+01 -0.210242D+01
      2   0.277924D+01  0.131608D+01 -0.187841D+01  0.228867D+01  0.204328D+01
      3   0.131608D+01  0.188725D+01 -0.210242D+01  0.204328D+01  0.367206D+01
               136           137           138           139           140 
      1  -0.676548D+01 -0.175251D+01 -0.178672D+01 -0.406949D+01 -0.174201D+01
      2  -0.175251D+01 -0.154223D+01 -0.792303D+00 -0.174201D+01 -0.185538D+01
      3  -0.178672D+01 -0.792303D+00 -0.159703D+01 -0.136603D+01 -0.775769D+00
               141           142           143           144           145 
      1  -0.136603D+01 -0.225530D+01 -0.828046D+00 -0.182674D+01  0.342626D+01
      2  -0.775769D+00 -0.828046D+00 -0.789501D+00 -0.220422D+00 -0.210774D+01
      3  -0.893549D+00 -0.182674D+01 -0.220422D+00 -0.140147D+01  0.983302D+00
               146           147           148           149           150 
      1  -0.210774D+01  0.983302D+00 -0.208914D+01  0.155151D+01 -0.927159D+00
      2   0.281455D+01 -0.165176D+01  0.155151D+01 -0.359776D+01  0.143160D+01
      3  -0.165176D+01  0.189841D+01 -0.927159D+00  0.143160D+01 -0.102945D+01
               151           152           153           154           155 
      1   0.852492D+00 -0.875437D+00  0.804844D+00 -0.473153D+01 -0.318495D+01
      2  -0.875437D+00  0.101190D+01 -0.835959D+00 -0.318495D+01 -0.299713D+01
      3   0.804844D+00 -0.835959D+00  0.164968D+01  0.690961D-01 -0.163389D+00
               156           157           158           159           160 
      1   0.690961D-01 -0.305027D+01 -0.260661D+01 -0.267775D+00 -0.126239D+01
      2  -0.163389D+00 -0.260661D+01 -0.403583D+01  0.365213D-01 -0.106467D+01
      3  -0.121707D+01 -0.267775D+00  0.365213D-01 -0.578592D+00 -0.753890D+00
               161           162           163           164           165 
      1  -0.106467D+01 -0.753890D+00 -0.148591D+01 -0.208151D-01  0.159026D+01
      2  -0.136026D+01 -0.285048D+00 -0.208151D-01 -0.523932D+00 -0.522233D+00
      3  -0.285048D+00 -0.438948D+00  0.159026D+01 -0.522233D+00 -0.178232D+01
               166           167           168           169           170 
      1   0.824495D+00 -0.498887D+00 -0.120986D+01  0.189963D+01 -0.557480D+00
      2  -0.498887D+00  0.123574D+01  0.105753D+01 -0.557480D+00  0.131207D+01
      3  -0.120986D+01  0.105753D+01  0.297926D+01 -0.225216D+01  0.109512D+01
               171 
      1  -0.225216D+01
      2   0.109512D+01
      3   0.660600D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.382491D+00 -0.483930D+00  0.851018D+00 -0.452868D+01  0.319034D+01
      2   0.706838D+01 -0.163761D+01  0.642917D+01 -0.486299D+01  0.745301D-01
      3  -0.653371D+01 -0.394789D+01  0.105939D+01  0.782618D+01  0.334305D+01
                 6             7             8             9            10 
      1  -0.380530D+01  0.242237D+01  0.280794D+00 -0.385634D+01 -0.221681D+01
      2  -0.812334D+00 -0.537368D+01 -0.348894D+01 -0.270787D+01  0.253022D+00
      3   0.254918D+01  0.372062D+01 -0.105140D+01  0.154456D+01  0.526394D+01
                11            12            13            14            15 
      1  -0.306709D+01 -0.103130D+01  0.161932D+01 -0.102067D+02 -0.274200D+01
      2   0.315971D+01 -0.861416D+01  0.810763D+01 -0.145023D+01 -0.824838D+00
      3   0.932545D+01 -0.267668D+01  0.748650D+01 -0.491506D+01 -0.122687D+00
                16            17            18            19            20 
      1  -0.236499D+01  0.682069D+01  0.768661D+01  0.118601D+01  0.468823D+01
      2  -0.740187D+01  0.192604D+01 -0.353387D+01  0.239051D+01  0.182954D+01
      3  -0.745113D+01  0.491037D+01  0.424838D+00 -0.647279D+01 -0.175833D+02
                21            22            23            24            25 
      1   0.187009D+00 -0.317693D+00  0.316265D+01 -0.182803D+01  0.232429D+01
      2   0.162098D+02 -0.731448D+00  0.264878D+01  0.329154D+00  0.390995D+01
      3  -0.187909D+01 -0.371594D+01 -0.137155D+01 -0.137564D+01  0.106587D+01
                26            27            28            29            30 
      1   0.188781D+01 -0.964996D+00  0.228418D+01 -0.164553D+01  0.199695D+01
      2   0.477479D-01  0.708876D+01  0.194603D+01 -0.420109D+01  0.460458D+00
      3  -0.435167D+01 -0.257518D+01 -0.130677D+01 -0.172942D+01  0.154742D+01
                31            32            33            34            35 
      1  -0.266990D+01 -0.830597D-01  0.208593D+01  0.100192D+01  0.458338D+01
      2  -0.431404D+01  0.175221D+01 -0.194941D+01 -0.533133D+01 -0.827334D-01
      3   0.400678D+01  0.695137D+01 -0.303661D+00  0.331188D+01 -0.119541D+01
                36            37            38            39            40 
      1   0.634880D+00 -0.309559D+00 -0.204658D-01 -0.793953D+00  0.814066D+00
      2  -0.264905D+01 -0.909403D+00  0.520192D+01  0.671114D+01  0.487538D+01
      3   0.582862D-01 -0.493597D+01 -0.458636D+01 -0.402663D+01  0.428786D+01
                41            42            43            44            45 
      1   0.834915D+00 -0.292908D+01  0.293929D-01  0.498608D+01 -0.114832D+01
      2   0.916793D+00 -0.399296D+01 -0.278697D+01 -0.354617D+01 -0.190288D+01
      3  -0.101129D+01 -0.296159D+00 -0.324345D+01 -0.314453D+00  0.529265D+01
                46            47            48            49            50 
      1  -0.163628D+01 -0.331393D+01  0.318778D+00 -0.333100D+01 -0.525382D+01
      2  -0.588192D+01  0.923002D+00 -0.308815D+01  0.522957D+00  0.236062D+01
      3   0.779336D+01  0.176006D+01  0.250172D+01  0.457835D+01 -0.165610D+00
                51            52            53            54            55 
      1  -0.109718D+02 -0.104048D+01 -0.304564D+01  0.924388D+01  0.280525D+01
      2   0.515159D+01 -0.563187D+01  0.261570D+01  0.143886D+01 -0.243749D+01
      3   0.141690D+01  0.133287D+00 -0.396730D+00 -0.512732D+01 -0.127235D+02
                56            57            58            59            60 
      1   0.103704D+01  0.110414D+01  0.207849D+01  0.531365D+01 -0.682863D+01
      2  -0.247414D+01  0.158815D+01 -0.723561D+00 -0.230986D+01  0.528599D+00
      3  -0.700571D+01 -0.102306D+01  0.169654D+01 -0.593162D+01  0.330707D+00
                61            62            63            64            65 
      1   0.910114D+00  0.872165D+00  0.441257D+01 -0.668765D+00  0.986252D-01
      2  -0.297507D+01 -0.180662D+00 -0.117037D+01  0.783163D+00  0.882487D+00
      3  -0.434929D+01  0.177100D+01 -0.133848D+01 -0.158895D+00 -0.109451D+01
                66            67            68            69            70 
      1   0.139096D+00  0.670679D-01  0.376984D+00 -0.395888D+00  0.840460D+00
      2   0.520634D+00 -0.125765D+00  0.276303D+00  0.194548D+00 -0.420828D+01
      3   0.139180D+00  0.933093D+00 -0.326391D+00 -0.334897D+00  0.171910D+01
                71            72            73            74            75 
      1   0.330908D+01 -0.503439D+01 -0.995502D+00 -0.295093D+01 -0.260345D+01
      2  -0.489484D+00  0.289699D+01  0.154780D+01 -0.756309D+01 -0.187012D+01
      3  -0.449655D+00 -0.373294D+00  0.111032D+02  0.158701D+01  0.864617D+01
                76            77            78            79            80 
      1  -0.327200D+01 -0.281151D+00  0.136334D+01 -0.411771D+01  0.500614D+01
      2  -0.786864D+01 -0.291644D+01  0.103415D+02 -0.893497D+01  0.113993D+02
      3   0.924162D+01 -0.341232D+01  0.622256D+01  0.873019D+01  0.555742D+01
                81            82            83            84            85 
      1   0.198115D+01  0.516493D+01  0.434634D+01  0.568062D+01  0.525955D+01
      2   0.984651D+00  0.234990D+00 -0.124733D+02  0.294000D+01 -0.112137D+02
      3  -0.791559D+01  0.554416D+01 -0.838664D+01  0.683806D+01 -0.266196D+01
                86            87            88            89            90 
      1   0.376234D+01 -0.716218D+01  0.619537D+01 -0.946570D+00 -0.940767D+01
      2  -0.115115D+01  0.958388D+00 -0.296614D+01  0.360882D-01  0.291622D+01
      3   0.206607D+01 -0.371182D+01  0.549644D+01 -0.307871D+01 -0.598129D+01
                91            92            93            94            95 
      1  -0.186145D+01  0.735595D+00 -0.498459D+00  0.223578D+01 -0.458087D+01
      2   0.439631D-01  0.107479D+01 -0.518448D+00  0.324824D+01 -0.642914D+00
      3   0.150265D+00 -0.162439D+01  0.515893D+00 -0.757939D+00  0.177351D+01
                96            97            98            99           100 
      1   0.536375D+01 -0.145490D+01  0.625646D+01 -0.985393D+01  0.229523D+01
      2  -0.188323D+01 -0.468929D+01 -0.754089D+00  0.221157D+01 -0.265054D+01
      3  -0.153893D+01  0.108120D+01 -0.101037D+01  0.289461D+01  0.191371D+01
               101           102           103           104           105 
      1   0.271903D+01 -0.607143D+00  0.262350D+01  0.779107D+01 -0.112865D+01
      2  -0.203100D+01  0.137345D+01 -0.394931D+01 -0.232325D+01  0.205501D+00
      3  -0.412086D+00 -0.140831D+00  0.427979D+01 -0.184932D+01 -0.324379D+00
               106           107           108           109           110 
      1  -0.434785D+00  0.111054D+01 -0.437093D+00 -0.142619D+01 -0.570304D+00
      2  -0.685578D+00 -0.467555D+00 -0.659457D+00  0.168688D+01  0.165050D+01
      3   0.563497D+00  0.133751D+00  0.110874D+01  0.115963D+02  0.374432D+01
               111           112           113           114           115 
      1  -0.239724D+01 -0.945674D+00 -0.338606D+00 -0.169465D+01 -0.122091D+01
      2   0.179705D+01  0.894131D+00  0.113361D+01  0.918134D+00 -0.669189D-01
      3   0.289742D+00  0.489110D+01  0.388487D+01 -0.237441D-01  0.142624D+01
               116           117           118           119           120 
      1  -0.497922D+00  0.101441D+00  0.701322D-01 -0.344451D+00 -0.238696D+00
      2   0.740534D+00  0.429308D+00  0.242150D+01  0.149046D+01 -0.947629D+00
      3   0.133340D+00  0.785353D+00  0.203719D+01  0.131869D+01 -0.172496D+01
               121           122           123           124           125 
      1   0.715415D-01 -0.775735D+00 -0.313516D+01  0.261776D+00  0.676508D+00
      2   0.192128D+01  0.574672D+01 -0.708313D+01 -0.179684D+01 -0.655586D+01
      3   0.221733D+01  0.981836D+01 -0.622025D+01 -0.237327D+01 -0.709687D+01
               126           127           128           129           130 
      1   0.292569D+01 -0.164908D+01  0.101836D+01  0.219719D+01  0.170122D+01
      2   0.855853D+01 -0.380109D+01  0.317703D+01  0.530356D+01  0.294238D+01
      3   0.634363D+01  0.331979D+00 -0.353180D+01 -0.163185D+01 -0.153193D+01
               131           132           133           134           135 
      1  -0.137756D+01 -0.371332D+01  0.209927D+01 -0.531117D+00 -0.528517D+01
      2  -0.394566D+01 -0.604742D+01  0.382703D+01 -0.553388D+01 -0.108493D+02
      3   0.597638D+01  0.232174D+01 -0.141817D+01  0.526319D+01  0.381494D+01
               136           137           138           139           140 
      1   0.203351D+01  0.196562D+01  0.951362D+00  0.131602D+01  0.204956D+01
      2   0.167060D+01  0.134129D+01  0.542989D+01  0.157969D+01  0.133186D+01
      3  -0.873378D+01 -0.761392D+01 -0.355706D+01 -0.527530D+01 -0.740285D+01
               141           142           143           144           145 
      1  -0.441178D+00  0.144812D+01  0.156658D+01  0.559240D+00 -0.192006D+01
      2   0.289261D+01  0.225897D+01  0.322046D+00  0.321801D+01 -0.823503D+01
      3  -0.273527D+01 -0.362830D+01 -0.342096D+01 -0.185150D+01 -0.949823D+01
               146           147           148           149           150 
      1   0.249162D+01  0.129826D+01  0.118768D+01 -0.342288D+01 -0.998445D+00
      2   0.505521D+01 -0.191115D+01  0.511911D+01 -0.417117D+01  0.208145D+01
      3   0.488041D+01 -0.291153D+01  0.698297D+01 -0.594751D+01  0.303394D+01
               151           152           153           154           155 
      1  -0.583055D-01  0.146502D+01  0.121333D+01 -0.453272D+01 -0.435046D+01
      2  -0.342587D+01  0.249675D+01 -0.273026D+01  0.586327D+01  0.439659D+01
      3  -0.276443D+01  0.224275D+01 -0.226316D+01  0.237772D+01 -0.244998D+01
               156           157           158           159           160 
      1  -0.348348D+01 -0.410194D+01 -0.536240D+01 -0.255363D+01 -0.215954D+01
      2   0.409904D+01  0.479063D+01  0.366073D+01  0.230478D+01  0.168170D+01
      3  -0.283086D-01  0.207265D+01 -0.339384D+01  0.422472D+00  0.607614D+00
               161           162           163           164           165 
      1  -0.824208D+00 -0.172992D+01  0.175968D+01 -0.235337D+01 -0.307072D+01
      2   0.146904D+01  0.225227D+01  0.856317D-01  0.762043D+00  0.193764D+01
      3  -0.116548D+01  0.566720D+00  0.123254D+01 -0.184520D+01 -0.250148D+01
               166           167           168           169           170 
      1  -0.188760D+01  0.463698D+01  0.366460D+01 -0.366217D+01  0.621952D+01
      2  -0.211944D+00 -0.991496D+00 -0.331290D+01 -0.157373D+01 -0.973673D+00
      3  -0.386964D+00  0.293357D+01  0.277000D+01 -0.262791D+01  0.351988D+01
               171 
      1   0.952293D+01
      2  -0.787210D+01
      3   0.459148D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.906194D+01 -0.194112D+01 -0.328842D+01  0.255542D+01 -0.990391D+01
      2  -0.412296D+01  0.132603D+00 -0.171038D+00 -0.270018D+01  0.157900D+02
      3  -0.493898D+01  0.180851D+01  0.345946D+01  0.144760D+00 -0.588613D+01
      4  -0.683329D+01  0.140013D+02  0.388184D+01  0.761135D+01 -0.723246D+01
      5  -0.655292D+01  0.464640D+01  0.128245D+02  0.376917D+01 -0.467573D+01
      6   0.326635D+01  0.321691D+00 -0.137715D+01 -0.138361D+01  0.834867D+01
                 6             7             8             9            10 
      1  -0.525406D+01  0.233397D+01 -0.468168D+01 -0.970745D+01 -0.512483D+02
      2   0.203250D+01  0.459961D+00  0.214607D+01 -0.301644D+01  0.297872D+02
      3   0.322156D+01 -0.279393D+01  0.253561D+01  0.127239D+02  0.214610D+02
      4  -0.242913D+01  0.338660D+01  0.248495D+01 -0.374732D+01 -0.415210D+01
      5   0.604565D+00  0.715368D+01 -0.401676D+01 -0.396148D+01 -0.186812D+02
      6   0.804899D+01 -0.119623D+01  0.942082D+01  0.867713D+01  0.304890D+01
                11            12            13            14            15 
      1   0.569179D+00 -0.925144D+01 -0.701407D+01  0.675201D+00  0.822524D+01
      2  -0.597781D+01  0.809333D+01  0.253952D+01 -0.523302D+00 -0.162122D+01
      3   0.540864D+01  0.115811D+01  0.447455D+01 -0.151899D+00 -0.660402D+01
      4  -0.141955D+02  0.110306D+01  0.386859D+01 -0.314239D+01  0.875755D+00
      5   0.874273D+00 -0.177983D+02 -0.230935D+01  0.188636D+00 -0.164779D+01
      6  -0.504972D+01  0.128500D+01 -0.406672D+00 -0.560665D+01  0.499612D+00
                16            17            18            19            20 
      1  -0.159066D+02  0.805137D+01 -0.103333D+01  0.101455D+03  0.138558D+01
      2   0.798778D+01 -0.779111D+01  0.853725D+00 -0.554767D+02  0.309516D+01
      3   0.791882D+01 -0.260260D+00  0.179608D+00 -0.459784D+02 -0.448075D+01
      4  -0.176103D+01 -0.716301D+01  0.165361D+01  0.149491D+00  0.238018D+02
      5  -0.181307D+01  0.333361D+01 -0.672789D+01  0.241164D+02 -0.629679D+00
      6   0.206571D+01 -0.199741D+01 -0.531663D+01 -0.516400D+01  0.278739D+01
                21            22            23            24            25 
      1   0.157053D+02  0.370451D+01  0.997404D+01 -0.183338D+01  0.126643D+02
      2  -0.119861D+02 -0.297827D+01 -0.624556D+00  0.634684D+00 -0.103622D+02
      3  -0.371923D+01 -0.726240D+00 -0.934948D+01  0.119870D+01 -0.230212D+01
      4  -0.830209D+00  0.218250D+02  0.158795D+01  0.566505D+01 -0.117895D+01
      5   0.278146D+02 -0.110791D+01  0.454398D+01  0.678238D+00  0.276275D+02
      6  -0.242096D+01  0.337655D+01 -0.403783D+00  0.492352D+01 -0.257936D+01
                26            27            28            29            30 
      1  -0.140126D+01  0.127760D+02 -0.642871D+01  0.487846D+01  0.218020D+01
      2   0.107962D+01 -0.135809D+02  0.411459D+01 -0.558450D+01 -0.102931D+01
      3   0.321647D+00  0.804903D+00  0.231413D+01  0.706040D+00 -0.115089D+01
      4   0.604121D+01 -0.124764D+01  0.927451D+00  0.433537D-01 -0.155700D+00
      5  -0.301745D+00  0.174365D+02  0.240245D+01  0.174459D+00 -0.211461D+00
      6   0.501335D+01 -0.170208D+01  0.149069D+01 -0.581476D+00 -0.236824D+01
                31            32            33            34            35 
      1  -0.595070D+01  0.919423D+01 -0.686734D+01 -0.161656D+00 -0.972437D+01
      2   0.413706D+01 -0.156257D+02  0.538176D+01 -0.422739D+00  0.170805D+02
      3   0.181364D+01  0.643147D+01  0.148558D+01  0.584395D+00 -0.735608D+01
      4  -0.324196D+01 -0.218696D+01  0.169159D+01 -0.958266D+00 -0.962592D+00
      5  -0.674535D+00  0.515694D+00 -0.403250D+01 -0.230312D+01 -0.927014D+00
      6   0.149862D+01  0.241449D+01 -0.332874D+01 -0.546995D-01 -0.132723D+01
                36            37            38            39            40 
      1   0.920303D+01  0.119078D+01  0.876258D+01 -0.513073D+01  0.142217D+02
      2   0.109365D+02 -0.698505D+00 -0.182251D+01  0.346669D+01 -0.432977D+01
      3  -0.201395D+02 -0.492273D+00 -0.694007D+01  0.166404D+01 -0.989193D+01
      4   0.798742D+00  0.130258D+02 -0.685011D+00  0.531067D+01 -0.936567D+00
      5  -0.560345D+01 -0.570685D+01  0.597205D+01  0.196756D+01  0.111618D+02
      6  -0.990824D+01 -0.256142D+01  0.490880D+01  0.864366D+00  0.371365D+01
                41            42            43            44            45 
      1   0.670777D+00  0.707722D+01 -0.383612D+01  0.690532D+01  0.395678D+01
      2   0.312281D+01 -0.440886D+01  0.146129D+01 -0.216038D+01 -0.627985D+01
      3  -0.379359D+01 -0.266836D+01  0.237483D+01 -0.474494D+01  0.232307D+01
      4  -0.239806D+00  0.320057D+01  0.940839D+01  0.228643D+01 -0.899700D+01
      5   0.408282D+01 -0.948566D+01  0.365207D+01 -0.962608D+01  0.340198D+01
      6   0.496712D+01 -0.605703D+01 -0.264652D+01 -0.624852D+01  0.389091D+01
                46            47            48            49            50 
      1  -0.475397D+01  0.394773D+01  0.740852D+01  0.274899D+01  0.637883D+01
      2  -0.882251D+00 -0.732609D+01 -0.880072D+00 -0.764654D+01 -0.110158D+02
      3   0.563622D+01  0.337837D+01 -0.652845D+01  0.489756D+01  0.463696D+01
      4  -0.154753D+01 -0.117682D+02 -0.345324D+01 -0.681173D+01 -0.843049D+01
      5   0.404531D+01 -0.550747D+01 -0.671968D+01 -0.500352D+01 -0.713309D+01
      6   0.992056D+00 -0.947885D+01 -0.547218D+01 -0.869112D+01 -0.112239D+02
                51            52            53            54            55 
      1  -0.792431D+01  0.613626D+01 -0.632510D+01  0.620211D+01  0.473494D+01
      2  -0.109179D+02 -0.184405D+01 -0.715616D+01  0.102377D+02 -0.854189D+01
      3   0.188423D+02 -0.429220D+01  0.134813D+02 -0.164398D+02  0.380696D+01
      4  -0.536744D+01 -0.145855D+01 -0.236851D+01  0.143303D+01 -0.180059D+02
      5   0.480576D+01 -0.243297D+01  0.165705D+01 -0.620188D+01 -0.129345D+01
      6  -0.207512D+01 -0.212877D+01  0.117954D+00  0.699930D+01 -0.360277D+01
                56            57            58            59            60 
      1   0.190403D+01 -0.248348D+00  0.375347D+01 -0.209857D+02  0.639449D+01
      2  -0.939507D+01  0.374410D+00 -0.662324D+01  0.312706D+02 -0.292531D+01
      3   0.749104D+01 -0.126062D+00  0.286977D+01 -0.102849D+02 -0.346917D+01
      4  -0.602609D+01 -0.285080D+01 -0.229512D+00 -0.479648D+01 -0.212503D+01
      5  -0.693020D+00  0.325842D+01 -0.197829D+00 -0.127835D+01  0.185295D+01
      6  -0.190518D+01 -0.110251D+01 -0.181691D+01 -0.525497D+01  0.880344D+01
                61            62            63            64            65 
      1  -0.101589D+01  0.929458D+01 -0.838322D+01  0.264515D+00 -0.395238D+00
      2  -0.421766D+00 -0.145139D+02  0.272940D+01 -0.320232D+01 -0.154893D+00
      3   0.143765D+01  0.521927D+01  0.565381D+01  0.293780D+01  0.550130D+00
      4  -0.538280D+01 -0.396941D+01  0.258492D+00 -0.306773D+00  0.240308D+01
      5   0.325002D+01  0.190692D+01 -0.230011D+01  0.106246D+01  0.126064D+01
      6  -0.998398D+00  0.109620D+02 -0.635840D+01  0.206503D+01  0.242553D+00
                66            67            68            69            70 
      1   0.453890D+00  0.212727D+00 -0.571279D+01 -0.367397D+01  0.518022D+00
      2  -0.548863D+00 -0.216490D+00  0.302235D+01  0.981167D+00 -0.335863D+00
      3   0.949736D-01  0.376271D-02  0.269045D+01  0.269280D+01 -0.182159D+00
      4   0.246678D+01  0.168392D+01  0.554731D+00  0.273837D+00  0.173488D+01
      5   0.651010D+01  0.707274D+00  0.463702D+00  0.700179D+00  0.587325D+01
      6   0.647013D+00  0.259065D+00  0.470230D+01  0.832928D+01  0.783634D+00
                71            72            73            74            75 
      1  -0.486792D+01 -0.185818D+02 -0.107672D+02 -0.173480D+02 -0.353054D+01
      2   0.101159D+01 -0.150249D+02  0.101530D+02  0.109337D+02  0.589797D+01
      3   0.385633D+01  0.336068D+02  0.614170D+00  0.641429D+01 -0.236743D+01
      4   0.957613D+00  0.285890D+00 -0.183017D+02 -0.475765D+00 -0.161512D+02
      5   0.107081D+01  0.511904D+01 -0.142761D+01 -0.179362D+02 -0.813807D+01
      6   0.779453D+01  0.164033D+02 -0.553634D+01  0.368158D+01  0.496198D+00
                76            77            78            79            80 
      1  -0.222506D+02 -0.319393D+00 -0.204981D+02 -0.367642D+01 -0.189865D+02
      2   0.139222D+02  0.881173D+00  0.103543D+02  0.630526D+01  0.866741D+01
      3   0.832841D+01 -0.561780D+00  0.101438D+02 -0.262883D+01  0.103191D+02
      4  -0.333923D+01  0.372656D+01 -0.915812D+00 -0.191608D+02  0.104733D+01
      5  -0.219541D+02 -0.364893D+01  0.138285D+02 -0.117319D+02  0.151784D+02
      6   0.339607D+01  0.172853D+01 -0.900989D+01  0.368513D+01 -0.943610D+01
                81            82            83            84            85 
      1  -0.249184D+01  0.385446D+01 -0.194485D+02  0.420302D+01 -0.194316D+02
      2  -0.208105D+01 -0.105864D+02  0.194004D+01 -0.113313D+02 -0.275336D+00
      3   0.457289D+01  0.673192D+01  0.175085D+02  0.712830D+01  0.197069D+02
      4   0.158077D+02 -0.130596D+02 -0.138397D+02 -0.529352D+01 -0.139019D+02
      5   0.396684D+01  0.426962D+00  0.680871D+00 -0.430057D+01 -0.188111D+01
      6  -0.254789D+00  0.723551D+01 -0.732747D+01  0.647871D+01 -0.700396D+01
                86            87            88            89            90 
      1  -0.281160D+01 -0.261914D+01  0.173755D+01 -0.389843D+01 -0.270254D+01
      2  -0.329104D+01  0.101404D+02 -0.117855D+02  0.780516D+01  0.144980D+02
      3   0.610264D+01 -0.752130D+01  0.100480D+02 -0.390672D+01 -0.117955D+02
      4  -0.407982D+01 -0.763401D+01 -0.907606D+01 -0.105698D+02  0.967005D+01
      5  -0.371389D+01  0.185209D+02 -0.577521D+01  0.159575D+02  0.844174D+01
      6  -0.160530D+01  0.601225D+01  0.718387D+01  0.668982D+01 -0.874963D+01
                91            92            93            94            95 
      1  -0.314127D+00 -0.627258D+00  0.203425D+00 -0.553254D+00 -0.485115D+01
      2  -0.395520D+01  0.122792D+01 -0.161365D+01  0.253648D+01 -0.109929D+01
      3   0.426933D+01 -0.600665D+00  0.141022D+01 -0.198323D+01  0.595044D+01
      4  -0.210406D+00  0.220709D+01  0.643576D+00  0.158787D+01  0.390960D-01
      5   0.175842D+01 -0.127369D+01  0.814550D+01 -0.294547D+01  0.233716D+01
      6  -0.860437D+00  0.107677D+01  0.549029D+00  0.270716D+01 -0.328924D+01
                96            97            98            99           100 
      1   0.776372D+01 -0.205736D+01  0.287366D+01 -0.212454D+02  0.537251D+00
      2   0.867886D+01 -0.190882D+01  0.461905D+01 -0.198563D+02  0.446305D+01
      3  -0.164426D+02  0.396618D+01 -0.749271D+01  0.411018D+02 -0.500030D+01
      4   0.194978D+01  0.684462D+00  0.172621D+01 -0.115863D+01  0.881080D+01
      5  -0.436465D+01  0.714768D+01 -0.100445D+01  0.855014D+01  0.505114D+01
      6   0.574161D+01 -0.181163D+00  0.587887D+01  0.140126D+00  0.558000D+01
               101           102           103           104           105 
      1  -0.323775D+01 -0.210512D+01 -0.329302D+01 -0.179294D+02 -0.712564D+01
      2   0.698741D+01  0.107648D+01  0.683247D+01  0.280495D+02  0.694835D+01
      3  -0.374966D+01  0.102864D+01 -0.353945D+01 -0.101201D+02  0.177288D+00
      4   0.118488D+02  0.426193D+01  0.113162D+02  0.153175D+02  0.512816D+01
      5   0.600528D+01  0.502539D+01  0.542588D+01  0.652914D+01  0.414899D+01
      6   0.745275D+01  0.547827D+01  0.651130D+01  0.213647D+02  0.129315D+02
               106           107           108           109           110 
      1  -0.228071D+01 -0.340740D+01 -0.587588D+01  0.192910D+01 -0.314604D+01
      2   0.266509D+00  0.217862D+01  0.166250D+01  0.944003D+01  0.147204D+02
      3   0.201421D+01  0.122879D+01  0.421338D+01 -0.113691D+02 -0.115744D+02
      4   0.147177D+01  0.226055D+01  0.294830D+01  0.223802D+02  0.201682D+02
      5   0.247578D+01  0.268993D+01  0.323043D+01 -0.259373D+00 -0.146930D+00
      6   0.345416D+01  0.847531D+01  0.579672D+01  0.172567D+01  0.111131D+01
               111           112           113           114           115 
      1   0.554879D-01 -0.165616D+01 -0.555155D+01 -0.122258D+00 -0.249678D+00
      2  -0.334123D+00  0.860178D+01  0.154866D+02  0.305991D+00  0.117168D+01
      3   0.278635D+00 -0.694561D+01 -0.993500D+01 -0.183733D+00 -0.922002D+00
      4   0.356655D+00  0.128019D+02  0.129378D+02  0.224569D+00  0.267258D+01
      5   0.213015D+01 -0.211021D+00  0.188009D+00  0.928397D+00  0.286527D+01
      6   0.330647D+01  0.808513D+00  0.120424D+01  0.274715D+01  0.344836D+01
               116           117           118           119           120 
      1  -0.918352D+00 -0.116447D+01 -0.196303D+01 -0.170082D+01  0.387563D+01
      2   0.200529D+01  0.148336D+01  0.114400D+01  0.931931D+00 -0.133895D+01
      3  -0.108693D+01 -0.318890D+00  0.819027D+00  0.768890D+00 -0.253668D+01
      4   0.245936D+01  0.324151D+01  0.156745D+01  0.128474D+01  0.198848D+00
      5   0.201886D+01  0.520120D+00  0.989474D+00  0.958085D+00  0.773185D+00
      6   0.458269D+01  0.428319D+00 -0.136890D+01 -0.116074D+01  0.973881D+00
               121           122           123           124           125 
      1  -0.375515D+01 -0.860231D+01  0.832625D+01  0.624313D+01  0.851063D+01
      2   0.136428D+01  0.117165D+02 -0.544948D+01 -0.316006D+01 -0.612315D+01
      3   0.239087D+01 -0.311417D+01 -0.287676D+01 -0.308307D+01 -0.238748D+01
      4   0.667339D+01 -0.157795D+02  0.910004D+01 -0.295597D+01  0.107708D+02
      5  -0.951117D+00  0.959960D+01 -0.119792D+02  0.571531D+01 -0.112183D+02
      6   0.684525D+00 -0.111516D+02  0.113434D+02 -0.136172D+01  0.116605D+02
               126           127           128           129           130 
      1  -0.832723D+01  0.156759D+02 -0.449761D+01 -0.618996D+01 -0.557696D+01
      2   0.645688D+00 -0.680447D+01 -0.598136D+00  0.154469D+01 -0.737965D+00
      3   0.768155D+01 -0.887147D+01  0.509574D+01  0.464528D+01  0.631493D+01
      4  -0.105272D+02 -0.967954D+01  0.100302D+02  0.783525D+01  0.127903D+02
      5   0.143276D+02 -0.821659D+01  0.674871D+01  0.103600D+02  0.782839D+01
      6  -0.120149D+02  0.380030D+01 -0.252918D+01 -0.294143D+01 -0.363450D+01
               131           132           133           134           135 
      1   0.192298D+01  0.333737D+01 -0.130008D+02  0.426767D+01  0.344278D+01
      2   0.529321D+01  0.109089D+01  0.523245D+01  0.177627D+01 -0.287984D+01
      3  -0.721619D+01 -0.442826D+01  0.776837D+01 -0.604393D+01 -0.562937D+00
      4  -0.157032D+02 -0.846431D+01  0.136364D+02 -0.135189D+02 -0.118175D+02
      5  -0.753094D+01 -0.102401D+02  0.145458D+02 -0.111891D+02 -0.206961D+02
      6   0.572800D+01  0.762692D+01 -0.541876D+01  0.821788D+01  0.972907D+01
               136           137           138           139           140 
      1   0.442604D+02  0.115019D+02  0.108194D+02  0.233137D+02  0.829484D+01
      2  -0.260033D+02 -0.770682D+01 -0.868662D+01 -0.139041D+02 -0.419186D+01
      3  -0.182571D+02 -0.379507D+01 -0.213276D+01 -0.940955D+01 -0.410297D+01
      4   0.818292D+01  0.101888D+02  0.381508D+01  0.113953D+02  0.114760D+02
      5   0.156555D+02  0.581749D+01  0.127783D+02  0.103275D+02  0.518027D+01
      6   0.142411D+01  0.110830D+01  0.173439D+00  0.183868D+01  0.243492D+01
               141           142           143           144           145 
      1   0.639968D+01  0.126197D+02  0.449705D+01  0.716963D+01 -0.873975D+01
      2  -0.544207D+01 -0.991171D+01 -0.365794D+01 -0.666516D+01  0.727979D+01
      3  -0.957607D+00 -0.270803D+01 -0.839114D+00 -0.504472D+00  0.145996D+01
      4   0.392439D+01  0.393368D+01  0.397319D+01  0.134201D+01 -0.657274D+01
      5   0.689757D+01  0.139740D+02  0.267727D+01  0.955469D+01  0.800953D+01
      6   0.308036D+01  0.407793D+00  0.344194D+01  0.958049D+00 -0.664138D+01
               146           147           148           149           150 
      1   0.130799D+02 -0.836851D+01  0.101497D+02 -0.139922D+02  0.773651D+01
      2  -0.110868D+02  0.301397D+01 -0.769719D+01  0.161344D+02 -0.504877D+01
      3  -0.199306D+01  0.535453D+01 -0.245255D+01 -0.214225D+01 -0.268774D+01
      4   0.397019D+01 -0.579668D+00  0.632804D+01 -0.535724D-01  0.676193D+00
      5  -0.314338D+01  0.208931D+01 -0.403197D+01  0.217563D+01 -0.181967D+01
      6   0.102231D+02 -0.885270D+01  0.620048D+01 -0.125255D+02  0.845470D+01
               151           152           153           154           155 
      1  -0.490347D+01  0.674027D+01 -0.708517D+01  0.200219D+02  0.884563D+01
      2   0.261790D+01 -0.392772D+01 -0.109191D+00 -0.124748D+01  0.584366D+01
      3   0.228556D+01 -0.281255D+01  0.719436D+01 -0.187744D+02 -0.146893D+02
      4  -0.948851D+00  0.130050D+01 -0.175396D+01  0.243646D+02  0.212557D+02
      5   0.398900D+01 -0.214418D+01 -0.941514D-01 -0.716851D+01 -0.481658D+01
      6  -0.524142D+01  0.745067D+01 -0.653938D+01 -0.404567D+01 -0.384762D+01
               156           157           158           159           160 
      1   0.180555D+01  0.896776D+01  0.169025D+01  0.156450D+01  0.534486D+01
      2   0.240754D+01  0.496193D+01  0.133788D+02  0.519681D+00  0.123302D+01
      3  -0.421310D+01 -0.139297D+02 -0.150691D+02 -0.208418D+01 -0.657788D+01
      4   0.443166D+00  0.197704D+02  0.219314D+02  0.852624D+00  0.653554D+01
      5   0.626577D+01 -0.484742D+01 -0.355274D+01  0.204712D+01  0.348279D+01
      6   0.355867D+01 -0.298018D+01 -0.576812D+01  0.410616D+01  0.194081D+01
               161           162           163           164           165 
      1   0.160085D+01  0.222491D+01  0.433865D+01  0.183874D+00 -0.304845D+01
      2   0.293754D+01 -0.756760D+00 -0.641521D+01  0.248160D+01  0.927049D+01
      3  -0.453839D+01 -0.146815D+01  0.207656D+01 -0.266547D+01 -0.622204D+01
      4   0.676830D+01  0.327260D+01  0.129831D+01  0.417016D+01  0.127018D+00
      5   0.841502D+00  0.123779D+01 -0.100494D+02  0.213822D+01  0.129138D+02
      6   0.213191D+01  0.258672D+01 -0.847718D+00 -0.103398D+01  0.724134D+00
               166           167           168           169           170 
      1  -0.150478D+01 -0.396630D+00 -0.165985D+01 -0.328352D+01  0.716618D+00
      2   0.492995D+01 -0.326344D+01 -0.974883D+01  0.106424D+02 -0.672977D+01
      3  -0.342516D+01  0.366007D+01  0.114087D+02 -0.735883D+01  0.601315D+01
      4   0.314109D+01 -0.388893D+01 -0.246514D+01 -0.583062D+00 -0.352427D+01
      5   0.689537D+01 -0.427097D+01 -0.114437D+02  0.146367D+02 -0.486688D+01
      6  -0.915990D+00  0.506575D+01  0.351023D+01  0.874984D+00  0.555421D+01
               171 
      1  -0.883569D+01
      2  -0.232554D+02
      3   0.320911D+02
      4  -0.146275D+01
      5  -0.260401D+02
      6  -0.363604D+01
 Leave Link  716 at Fri Jul  9 00:18:52 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.923324D+02  0.203741D+01  0.416168D+01
      2   0.203741D+01  0.783832D+02  0.112955D+01
      3   0.416168D+01  0.112955D+01  0.756884D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.354171D+01  0.993113D+01  0.454442D+01
      2   0.401925D+01  0.694122D+01 -0.272864D+02
      3  -0.105600D+02  0.292160D+02 -0.834676D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.344209D+02  0.453391D+01  0.152501D+02
      2   0.202410D+02  0.462482D+00 -0.251785D+02
      3   0.141799D+02 -0.499639D+01  0.992837D+01
      4  -0.865599D+01 -0.610940D+02  0.738054D+01
      5   0.271086D+02  0.918764D+01 -0.670755D+02
      6  -0.299536D+01  0.259531D+00 -0.147413D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.400477D+01 -0.189902D+01 -0.103173D+01 -0.141923D+01  0.555574D+00
      2  -0.189902D+01  0.260091D+00  0.530305D+00  0.555574D+00 -0.385101D+01
      3  -0.103173D+01  0.530305D+00 -0.429323D+00  0.359910D-01 -0.122650D+01
                 6             7             8             9            10 
      1   0.359910D-01 -0.632948D+00 -0.300623D+00  0.269523D+00 -0.725780D+01
      2  -0.122650D+01 -0.300623D+00 -0.174711D+01 -0.145449D+01 -0.171156D+01
      3  -0.859752D+00  0.269523D+00 -0.145449D+01 -0.289756D+01 -0.350584D+01
                11            12            13            14            15 
      1  -0.171156D+01 -0.350584D+01 -0.134505D+01  0.579130D+00  0.917061D+00
      2  -0.867669D+00  0.726364D+00  0.579130D+00  0.111276D+00  0.295634D+00
      3   0.726364D+00 -0.327060D+00  0.917061D+00  0.295634D+00  0.548553D+00
                16            17            18            19            20 
      1  -0.211847D+01  0.803507D+00  0.110675D+00  0.172862D+02  0.654088D+00
      2   0.803507D+00  0.514797D+00  0.822506D+00  0.654088D+00  0.304227D+01
      3   0.110675D+00  0.822506D+00  0.142974D+01  0.403704D+01  0.193408D+00
                21            22            23            24            25 
      1   0.403704D+01  0.153119D+00  0.321151D+01 -0.349146D+00  0.283409D+01
      2   0.193408D+00  0.321151D+01  0.928855D+00  0.961922D+00 -0.950616D-01
      3   0.290890D+01 -0.349146D+00  0.961922D+00  0.729351D-01  0.406935D+01
                26            27            28            29            30 
      1  -0.950616D-01  0.406935D+01  0.126661D+01  0.330882D+01  0.139752D+01
      2   0.815994D+00  0.368382D-01  0.330882D+01 -0.344662D+00 -0.155796D+00
      3   0.368382D-01  0.283182D+01  0.139752D+01 -0.155796D+00  0.324191D+00
                31            32            33            34            35 
      1   0.237476D+01 -0.441311D+00  0.259493D+00  0.143585D+01 -0.204020D+00
      2  -0.441311D+00 -0.235552D+01  0.145419D+01 -0.204020D+00  0.260604D+01
      3   0.259493D+00  0.145419D+01 -0.750380D+00 -0.251853D-01 -0.209260D+01
                36            37            38            39            40 
      1  -0.251853D-01 -0.143815D+01 -0.340288D+01  0.107821D+01 -0.304327D+01
      2  -0.209260D+01 -0.340288D+01 -0.550936D+00 -0.264390D+01 -0.234461D+00
      3  -0.618573D+01  0.107821D+01 -0.264390D+01 -0.129912D+01 -0.260084D+01
                41            42            43            44            45 
      1  -0.234461D+00 -0.260084D+01  0.112921D+01 -0.293313D+01 -0.985571D+00
      2   0.336483D+00 -0.951100D+00 -0.293313D+01 -0.191440D+01  0.392646D+01
      3  -0.951100D+00  0.478079D+01 -0.985571D+00  0.392646D+01  0.654506D+00
                46            47            48            49            50 
      1  -0.211392D+01  0.128154D+01 -0.106907D+01  0.587701D+00  0.235734D+01
      2   0.128154D+01  0.252915D+01  0.786395D+00  0.235734D+01  0.271998D+01
      3  -0.106907D+01  0.786395D+00  0.256860D+01  0.110625D+01  0.168485D+01
                51            52            53            54            55 
      1   0.110625D+01 -0.122845D+01  0.115140D+01  0.159605D+01 -0.437795D+01
      2   0.168485D+01  0.115140D+01  0.673453D+00 -0.313004D+01 -0.203847D+01
      3  -0.447925D+01  0.159605D+01 -0.313004D+01  0.239452D+01 -0.103062D+01
                56            57            58            59            60 
      1  -0.203847D+01 -0.103062D+01 -0.830188D+00 -0.106383D+01 -0.236847D+00
      2  -0.306824D+01 -0.978514D-01 -0.106383D+01  0.453303D+01 -0.150827D+01
      3  -0.978514D-01 -0.840095D+00 -0.236847D+00 -0.150827D+01 -0.967066D-01
                61            62            63            64            65 
      1  -0.183673D+01 -0.437803D+00 -0.606158D-01 -0.186446D+00 -0.912016D-01
      2  -0.437803D+00 -0.328233D+01  0.181142D+01 -0.912016D-01 -0.121461D-01
      3  -0.606158D-01  0.181142D+01 -0.886312D+00  0.112068D+01  0.516134D-01
                66            67            68            69            70 
      1   0.112068D+01  0.347195D-01  0.109362D+00  0.395590D-01  0.131912D+01
      2   0.516134D-01  0.109362D+00  0.131032D+01  0.112188D+01  0.353601D+00
      3   0.169784D-01  0.395590D-01  0.112188D+01  0.102459D+01  0.171981D+00
                71            72            73            74            75 
      1   0.353601D+00  0.171981D+00  0.134064D+01  0.341420D+01 -0.149848D+00
      2   0.179288D+01  0.132852D+01  0.341420D+01  0.112738D+00  0.337782D+01
      3   0.132852D+01  0.829093D+01 -0.149848D+00  0.337782D+01  0.106030D+01
                76            77            78            79            80 
      1   0.390916D+01  0.854638D+00  0.336995D+01 -0.223023D+00  0.325829D+01
      2   0.854638D+00 -0.127848D+01  0.124784D+01  0.325829D+01  0.110853D+01
      3   0.336995D+01  0.124784D+01 -0.362954D+01  0.186132D+01 -0.378120D+01
                81            82            83            84            85 
      1   0.186132D+01  0.378243D+00  0.435112D+01 -0.834978D+00  0.402103D+01
      2  -0.378120D+01  0.435112D+01  0.148506D+00  0.301859D+01  0.368057D+00
      3  -0.253805D+00 -0.834978D+00  0.301859D+01  0.457391D+00  0.314181D+01
                86            87            88            89            90 
      1   0.368057D+00  0.314181D+01 -0.359009D+00  0.339597D+01  0.916263D+00
      2   0.119024D+01  0.453646D+00  0.339597D+01  0.151768D+01 -0.329502D+01
      3   0.453646D+00 -0.426379D+01  0.916263D+00 -0.329502D+01 -0.204001D+01
                91            92            93            94            95 
      1  -0.426214D-01  0.417127D+00 -0.111829D+01  0.119034D+01 -0.718950D+00
      2   0.417127D+00 -0.292998D+00  0.707714D-01 -0.718950D+00  0.945153D+00
      3  -0.111829D+01  0.707714D-01 -0.697677D+00  0.183905D+00 -0.177400D+01
                96            97            98            99           100 
      1   0.183905D+00 -0.163711D+01  0.889720D-01 -0.947587D+00 -0.188637D+01
      2  -0.177400D+01  0.889720D-01 -0.130362D+01  0.151914D+01 -0.198745D+01
      3   0.362558D+01 -0.947587D+00  0.151914D+01 -0.803805D+01 -0.609283D+00
               101           102           103           104           105 
      1  -0.198745D+01 -0.609283D+00 -0.221141D+01 -0.222708D+01 -0.806887D+00
      2  -0.242912D+01 -0.968763D+00 -0.222708D+01 -0.691727D+01 -0.238469D+01
      3  -0.968763D+00 -0.116699D+01 -0.806887D+00 -0.238469D+01 -0.169302D+01
               106           107           108           109           110 
      1  -0.178820D+00 -0.422462D+00 -0.877130D+00  0.478174D+01  0.340383D+01
      2  -0.422462D+00 -0.103917D+01 -0.100553D+01  0.340383D+01  0.442898D+01
      3  -0.877130D+00 -0.100553D+01 -0.160455D+01  0.271017D-02 -0.159966D+00
               111           112           113           114           115 
      1   0.271017D-02  0.252148D+01  0.218262D+01 -0.546820D-02  0.533003D+00
      2  -0.159966D+00  0.218262D+01  0.372505D+01 -0.263951D-01  0.419973D+00
      3   0.947390D+00 -0.546820D-02 -0.263951D-01  0.595722D+00  0.586196D+00
               116           117           118           119           120 
      1   0.419973D+00  0.586196D+00  0.677077D+00  0.234459D+00 -0.477686D+00
      2   0.643414D+00  0.729552D+00  0.234459D+00  0.539464D+00 -0.598340D+00
      3   0.729552D+00 -0.557935D-01 -0.477686D+00 -0.598340D+00  0.534774D+00
               121           122           123           124           125 
      1   0.976590D+00 -0.512890D+00 -0.302064D-01 -0.133568D+01  0.125436D+00
      2  -0.512890D+00  0.407588D+01 -0.241496D+01  0.125436D+00 -0.284904D+01
      3  -0.302064D-01 -0.241496D+01  0.275936D+01 -0.554912D+00  0.278749D+01
               126           127           128           129           130 
      1  -0.554912D+00 -0.287542D+01  0.113143D+01  0.133525D+01  0.146467D+01
      2   0.278749D+01  0.113143D+01 -0.124669D+01 -0.100097D+01 -0.172372D+01
      3  -0.372701D+01  0.133525D+01 -0.100097D+01 -0.136025D+01 -0.125380D+01
               131           132           133           134           135 
      1  -0.172372D+01 -0.125380D+01  0.306453D+01 -0.187841D+01 -0.210242D+01
      2   0.277924D+01  0.131608D+01 -0.187841D+01  0.228867D+01  0.204328D+01
      3   0.131608D+01  0.188725D+01 -0.210242D+01  0.204328D+01  0.367206D+01
               136           137           138           139           140 
      1  -0.676548D+01 -0.175251D+01 -0.178672D+01 -0.406949D+01 -0.174201D+01
      2  -0.175251D+01 -0.154223D+01 -0.792303D+00 -0.174201D+01 -0.185538D+01
      3  -0.178672D+01 -0.792303D+00 -0.159703D+01 -0.136603D+01 -0.775769D+00
               141           142           143           144           145 
      1  -0.136603D+01 -0.225530D+01 -0.828046D+00 -0.182674D+01  0.342626D+01
      2  -0.775769D+00 -0.828046D+00 -0.789501D+00 -0.220422D+00 -0.210774D+01
      3  -0.893549D+00 -0.182674D+01 -0.220422D+00 -0.140147D+01  0.983302D+00
               146           147           148           149           150 
      1  -0.210774D+01  0.983302D+00 -0.208914D+01  0.155151D+01 -0.927159D+00
      2   0.281455D+01 -0.165176D+01  0.155151D+01 -0.359776D+01  0.143160D+01
      3  -0.165176D+01  0.189841D+01 -0.927159D+00  0.143160D+01 -0.102945D+01
               151           152           153           154           155 
      1   0.852492D+00 -0.875437D+00  0.804844D+00 -0.473153D+01 -0.318495D+01
      2  -0.875437D+00  0.101190D+01 -0.835959D+00 -0.318495D+01 -0.299713D+01
      3   0.804844D+00 -0.835959D+00  0.164968D+01  0.690961D-01 -0.163389D+00
               156           157           158           159           160 
      1   0.690961D-01 -0.305027D+01 -0.260661D+01 -0.267775D+00 -0.126239D+01
      2  -0.163389D+00 -0.260661D+01 -0.403583D+01  0.365213D-01 -0.106467D+01
      3  -0.121707D+01 -0.267775D+00  0.365213D-01 -0.578592D+00 -0.753890D+00
               161           162           163           164           165 
      1  -0.106467D+01 -0.753890D+00 -0.148591D+01 -0.208151D-01  0.159026D+01
      2  -0.136026D+01 -0.285048D+00 -0.208151D-01 -0.523932D+00 -0.522233D+00
      3  -0.285048D+00 -0.438948D+00  0.159026D+01 -0.522233D+00 -0.178232D+01
               166           167           168           169           170 
      1   0.824495D+00 -0.498887D+00 -0.120986D+01  0.189963D+01 -0.557480D+00
      2  -0.498887D+00  0.123574D+01  0.105753D+01 -0.557480D+00  0.131207D+01
      3  -0.120986D+01  0.105753D+01  0.297926D+01 -0.225216D+01  0.109512D+01
               171 
      1  -0.225216D+01
      2   0.109512D+01
      3   0.660600D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.382491D+00 -0.483930D+00  0.851018D+00 -0.452868D+01  0.319034D+01
      2   0.706838D+01 -0.163761D+01  0.642917D+01 -0.486299D+01  0.745301D-01
      3  -0.653371D+01 -0.394789D+01  0.105939D+01  0.782618D+01  0.334305D+01
                 6             7             8             9            10 
      1  -0.380530D+01  0.242237D+01  0.280794D+00 -0.385634D+01 -0.221681D+01
      2  -0.812334D+00 -0.537368D+01 -0.348894D+01 -0.270787D+01  0.253022D+00
      3   0.254918D+01  0.372062D+01 -0.105140D+01  0.154456D+01  0.526394D+01
                11            12            13            14            15 
      1  -0.306709D+01 -0.103130D+01  0.161932D+01 -0.102067D+02 -0.274200D+01
      2   0.315971D+01 -0.861416D+01  0.810763D+01 -0.145023D+01 -0.824838D+00
      3   0.932545D+01 -0.267668D+01  0.748650D+01 -0.491506D+01 -0.122687D+00
                16            17            18            19            20 
      1  -0.236499D+01  0.682069D+01  0.768661D+01  0.118601D+01  0.468823D+01
      2  -0.740187D+01  0.192604D+01 -0.353387D+01  0.239051D+01  0.182954D+01
      3  -0.745113D+01  0.491037D+01  0.424838D+00 -0.647279D+01 -0.175833D+02
                21            22            23            24            25 
      1   0.187009D+00 -0.317693D+00  0.316265D+01 -0.182803D+01  0.232429D+01
      2   0.162098D+02 -0.731448D+00  0.264878D+01  0.329154D+00  0.390995D+01
      3  -0.187909D+01 -0.371594D+01 -0.137155D+01 -0.137564D+01  0.106587D+01
                26            27            28            29            30 
      1   0.188781D+01 -0.964996D+00  0.228418D+01 -0.164553D+01  0.199695D+01
      2   0.477479D-01  0.708876D+01  0.194603D+01 -0.420109D+01  0.460458D+00
      3  -0.435167D+01 -0.257518D+01 -0.130677D+01 -0.172942D+01  0.154742D+01
                31            32            33            34            35 
      1  -0.266990D+01 -0.830597D-01  0.208593D+01  0.100192D+01  0.458338D+01
      2  -0.431404D+01  0.175221D+01 -0.194941D+01 -0.533133D+01 -0.827334D-01
      3   0.400678D+01  0.695137D+01 -0.303661D+00  0.331188D+01 -0.119541D+01
                36            37            38            39            40 
      1   0.634880D+00 -0.309559D+00 -0.204658D-01 -0.793953D+00  0.814066D+00
      2  -0.264905D+01 -0.909403D+00  0.520192D+01  0.671114D+01  0.487538D+01
      3   0.582862D-01 -0.493597D+01 -0.458636D+01 -0.402663D+01  0.428786D+01
                41            42            43            44            45 
      1   0.834915D+00 -0.292908D+01  0.293929D-01  0.498608D+01 -0.114832D+01
      2   0.916793D+00 -0.399296D+01 -0.278697D+01 -0.354617D+01 -0.190288D+01
      3  -0.101129D+01 -0.296159D+00 -0.324345D+01 -0.314453D+00  0.529265D+01
                46            47            48            49            50 
      1  -0.163628D+01 -0.331393D+01  0.318778D+00 -0.333100D+01 -0.525382D+01
      2  -0.588192D+01  0.923002D+00 -0.308815D+01  0.522957D+00  0.236062D+01
      3   0.779336D+01  0.176006D+01  0.250172D+01  0.457835D+01 -0.165610D+00
                51            52            53            54            55 
      1  -0.109718D+02 -0.104048D+01 -0.304564D+01  0.924388D+01  0.280525D+01
      2   0.515159D+01 -0.563187D+01  0.261570D+01  0.143886D+01 -0.243749D+01
      3   0.141690D+01  0.133287D+00 -0.396730D+00 -0.512732D+01 -0.127235D+02
                56            57            58            59            60 
      1   0.103704D+01  0.110414D+01  0.207849D+01  0.531365D+01 -0.682863D+01
      2  -0.247414D+01  0.158815D+01 -0.723561D+00 -0.230986D+01  0.528599D+00
      3  -0.700571D+01 -0.102306D+01  0.169654D+01 -0.593162D+01  0.330707D+00
                61            62            63            64            65 
      1   0.910114D+00  0.872165D+00  0.441257D+01 -0.668765D+00  0.986252D-01
      2  -0.297507D+01 -0.180662D+00 -0.117037D+01  0.783163D+00  0.882487D+00
      3  -0.434929D+01  0.177100D+01 -0.133848D+01 -0.158895D+00 -0.109451D+01
                66            67            68            69            70 
      1   0.139096D+00  0.670679D-01  0.376984D+00 -0.395888D+00  0.840460D+00
      2   0.520634D+00 -0.125765D+00  0.276303D+00  0.194548D+00 -0.420828D+01
      3   0.139180D+00  0.933093D+00 -0.326391D+00 -0.334897D+00  0.171910D+01
                71            72            73            74            75 
      1   0.330908D+01 -0.503439D+01 -0.995502D+00 -0.295093D+01 -0.260345D+01
      2  -0.489484D+00  0.289699D+01  0.154780D+01 -0.756309D+01 -0.187012D+01
      3  -0.449655D+00 -0.373294D+00  0.111032D+02  0.158701D+01  0.864617D+01
                76            77            78            79            80 
      1  -0.327200D+01 -0.281151D+00  0.136334D+01 -0.411771D+01  0.500614D+01
      2  -0.786864D+01 -0.291644D+01  0.103415D+02 -0.893497D+01  0.113993D+02
      3   0.924162D+01 -0.341232D+01  0.622256D+01  0.873019D+01  0.555742D+01
                81            82            83            84            85 
      1   0.198115D+01  0.516493D+01  0.434634D+01  0.568062D+01  0.525955D+01
      2   0.984651D+00  0.234990D+00 -0.124733D+02  0.294000D+01 -0.112137D+02
      3  -0.791559D+01  0.554416D+01 -0.838664D+01  0.683806D+01 -0.266196D+01
                86            87            88            89            90 
      1   0.376234D+01 -0.716218D+01  0.619537D+01 -0.946570D+00 -0.940767D+01
      2  -0.115115D+01  0.958388D+00 -0.296614D+01  0.360882D-01  0.291622D+01
      3   0.206607D+01 -0.371182D+01  0.549644D+01 -0.307871D+01 -0.598129D+01
                91            92            93            94            95 
      1  -0.186145D+01  0.735595D+00 -0.498459D+00  0.223578D+01 -0.458087D+01
      2   0.439631D-01  0.107479D+01 -0.518448D+00  0.324824D+01 -0.642914D+00
      3   0.150265D+00 -0.162439D+01  0.515893D+00 -0.757939D+00  0.177351D+01
                96            97            98            99           100 
      1   0.536375D+01 -0.145490D+01  0.625646D+01 -0.985393D+01  0.229523D+01
      2  -0.188323D+01 -0.468929D+01 -0.754089D+00  0.221157D+01 -0.265054D+01
      3  -0.153893D+01  0.108120D+01 -0.101037D+01  0.289461D+01  0.191371D+01
               101           102           103           104           105 
      1   0.271903D+01 -0.607143D+00  0.262350D+01  0.779107D+01 -0.112865D+01
      2  -0.203100D+01  0.137345D+01 -0.394931D+01 -0.232325D+01  0.205501D+00
      3  -0.412086D+00 -0.140831D+00  0.427979D+01 -0.184932D+01 -0.324379D+00
               106           107           108           109           110 
      1  -0.434785D+00  0.111054D+01 -0.437093D+00 -0.142619D+01 -0.570304D+00
      2  -0.685578D+00 -0.467555D+00 -0.659457D+00  0.168688D+01  0.165050D+01
      3   0.563497D+00  0.133751D+00  0.110874D+01  0.115963D+02  0.374432D+01
               111           112           113           114           115 
      1  -0.239724D+01 -0.945674D+00 -0.338606D+00 -0.169465D+01 -0.122091D+01
      2   0.179705D+01  0.894131D+00  0.113361D+01  0.918134D+00 -0.669189D-01
      3   0.289742D+00  0.489110D+01  0.388487D+01 -0.237441D-01  0.142624D+01
               116           117           118           119           120 
      1  -0.497922D+00  0.101441D+00  0.701322D-01 -0.344451D+00 -0.238696D+00
      2   0.740534D+00  0.429308D+00  0.242150D+01  0.149046D+01 -0.947629D+00
      3   0.133340D+00  0.785353D+00  0.203719D+01  0.131869D+01 -0.172496D+01
               121           122           123           124           125 
      1   0.715415D-01 -0.775735D+00 -0.313516D+01  0.261776D+00  0.676508D+00
      2   0.192128D+01  0.574672D+01 -0.708313D+01 -0.179684D+01 -0.655586D+01
      3   0.221733D+01  0.981836D+01 -0.622025D+01 -0.237327D+01 -0.709687D+01
               126           127           128           129           130 
      1   0.292569D+01 -0.164908D+01  0.101836D+01  0.219719D+01  0.170122D+01
      2   0.855853D+01 -0.380109D+01  0.317703D+01  0.530356D+01  0.294238D+01
      3   0.634363D+01  0.331979D+00 -0.353180D+01 -0.163185D+01 -0.153193D+01
               131           132           133           134           135 
      1  -0.137756D+01 -0.371332D+01  0.209927D+01 -0.531117D+00 -0.528517D+01
      2  -0.394566D+01 -0.604742D+01  0.382703D+01 -0.553388D+01 -0.108493D+02
      3   0.597638D+01  0.232174D+01 -0.141817D+01  0.526319D+01  0.381494D+01
               136           137           138           139           140 
      1   0.203351D+01  0.196562D+01  0.951362D+00  0.131602D+01  0.204956D+01
      2   0.167060D+01  0.134129D+01  0.542989D+01  0.157969D+01  0.133186D+01
      3  -0.873378D+01 -0.761392D+01 -0.355706D+01 -0.527530D+01 -0.740285D+01
               141           142           143           144           145 
      1  -0.441178D+00  0.144812D+01  0.156658D+01  0.559240D+00 -0.192006D+01
      2   0.289261D+01  0.225897D+01  0.322046D+00  0.321801D+01 -0.823503D+01
      3  -0.273527D+01 -0.362830D+01 -0.342096D+01 -0.185150D+01 -0.949823D+01
               146           147           148           149           150 
      1   0.249162D+01  0.129826D+01  0.118768D+01 -0.342288D+01 -0.998445D+00
      2   0.505521D+01 -0.191115D+01  0.511911D+01 -0.417117D+01  0.208145D+01
      3   0.488041D+01 -0.291153D+01  0.698297D+01 -0.594751D+01  0.303394D+01
               151           152           153           154           155 
      1  -0.583055D-01  0.146502D+01  0.121333D+01 -0.453272D+01 -0.435046D+01
      2  -0.342587D+01  0.249675D+01 -0.273026D+01  0.586327D+01  0.439659D+01
      3  -0.276443D+01  0.224275D+01 -0.226316D+01  0.237772D+01 -0.244998D+01
               156           157           158           159           160 
      1  -0.348348D+01 -0.410194D+01 -0.536240D+01 -0.255363D+01 -0.215954D+01
      2   0.409904D+01  0.479063D+01  0.366073D+01  0.230478D+01  0.168170D+01
      3  -0.283086D-01  0.207265D+01 -0.339384D+01  0.422472D+00  0.607614D+00
               161           162           163           164           165 
      1  -0.824208D+00 -0.172992D+01  0.175968D+01 -0.235337D+01 -0.307072D+01
      2   0.146904D+01  0.225227D+01  0.856317D-01  0.762043D+00  0.193764D+01
      3  -0.116548D+01  0.566720D+00  0.123254D+01 -0.184520D+01 -0.250148D+01
               166           167           168           169           170 
      1  -0.188760D+01  0.463698D+01  0.366460D+01 -0.366217D+01  0.621952D+01
      2  -0.211944D+00 -0.991496D+00 -0.331290D+01 -0.157373D+01 -0.973673D+00
      3  -0.386964D+00  0.293357D+01  0.277000D+01 -0.262791D+01  0.351988D+01
               171 
      1   0.952293D+01
      2  -0.787210D+01
      3   0.459148D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.906194D+01 -0.194112D+01 -0.328842D+01  0.255542D+01 -0.990391D+01
      2  -0.412296D+01  0.132603D+00 -0.171038D+00 -0.270018D+01  0.157900D+02
      3  -0.493898D+01  0.180851D+01  0.345946D+01  0.144760D+00 -0.588613D+01
      4  -0.683329D+01  0.140013D+02  0.388184D+01  0.761135D+01 -0.723246D+01
      5  -0.655292D+01  0.464640D+01  0.128245D+02  0.376917D+01 -0.467573D+01
      6   0.326635D+01  0.321691D+00 -0.137715D+01 -0.138361D+01  0.834867D+01
                 6             7             8             9            10 
      1  -0.525406D+01  0.233397D+01 -0.468168D+01 -0.970745D+01 -0.512483D+02
      2   0.203250D+01  0.459961D+00  0.214607D+01 -0.301644D+01  0.297872D+02
      3   0.322156D+01 -0.279393D+01  0.253561D+01  0.127239D+02  0.214610D+02
      4  -0.242913D+01  0.338660D+01  0.248495D+01 -0.374732D+01 -0.415210D+01
      5   0.604565D+00  0.715368D+01 -0.401676D+01 -0.396148D+01 -0.186812D+02
      6   0.804899D+01 -0.119623D+01  0.942082D+01  0.867713D+01  0.304890D+01
                11            12            13            14            15 
      1   0.569179D+00 -0.925144D+01 -0.701407D+01  0.675201D+00  0.822524D+01
      2  -0.597781D+01  0.809333D+01  0.253952D+01 -0.523302D+00 -0.162122D+01
      3   0.540864D+01  0.115811D+01  0.447455D+01 -0.151899D+00 -0.660402D+01
      4  -0.141955D+02  0.110306D+01  0.386859D+01 -0.314239D+01  0.875755D+00
      5   0.874273D+00 -0.177983D+02 -0.230935D+01  0.188636D+00 -0.164779D+01
      6  -0.504972D+01  0.128500D+01 -0.406672D+00 -0.560665D+01  0.499612D+00
                16            17            18            19            20 
      1  -0.159066D+02  0.805137D+01 -0.103333D+01  0.101455D+03  0.138558D+01
      2   0.798778D+01 -0.779111D+01  0.853725D+00 -0.554767D+02  0.309516D+01
      3   0.791882D+01 -0.260260D+00  0.179608D+00 -0.459784D+02 -0.448075D+01
      4  -0.176103D+01 -0.716301D+01  0.165361D+01  0.149491D+00  0.238018D+02
      5  -0.181307D+01  0.333361D+01 -0.672789D+01  0.241164D+02 -0.629679D+00
      6   0.206571D+01 -0.199741D+01 -0.531663D+01 -0.516400D+01  0.278739D+01
                21            22            23            24            25 
      1   0.157053D+02  0.370451D+01  0.997404D+01 -0.183338D+01  0.126643D+02
      2  -0.119861D+02 -0.297827D+01 -0.624556D+00  0.634684D+00 -0.103622D+02
      3  -0.371923D+01 -0.726240D+00 -0.934948D+01  0.119870D+01 -0.230212D+01
      4  -0.830209D+00  0.218250D+02  0.158795D+01  0.566505D+01 -0.117895D+01
      5   0.278146D+02 -0.110791D+01  0.454398D+01  0.678238D+00  0.276275D+02
      6  -0.242096D+01  0.337655D+01 -0.403783D+00  0.492352D+01 -0.257936D+01
                26            27            28            29            30 
      1  -0.140126D+01  0.127760D+02 -0.642871D+01  0.487846D+01  0.218020D+01
      2   0.107962D+01 -0.135809D+02  0.411459D+01 -0.558450D+01 -0.102931D+01
      3   0.321647D+00  0.804903D+00  0.231413D+01  0.706040D+00 -0.115089D+01
      4   0.604121D+01 -0.124764D+01  0.927451D+00  0.433537D-01 -0.155700D+00
      5  -0.301745D+00  0.174365D+02  0.240245D+01  0.174459D+00 -0.211461D+00
      6   0.501335D+01 -0.170208D+01  0.149069D+01 -0.581476D+00 -0.236824D+01
                31            32            33            34            35 
      1  -0.595070D+01  0.919423D+01 -0.686734D+01 -0.161656D+00 -0.972437D+01
      2   0.413706D+01 -0.156257D+02  0.538176D+01 -0.422739D+00  0.170805D+02
      3   0.181364D+01  0.643147D+01  0.148558D+01  0.584395D+00 -0.735608D+01
      4  -0.324196D+01 -0.218696D+01  0.169159D+01 -0.958266D+00 -0.962592D+00
      5  -0.674535D+00  0.515694D+00 -0.403250D+01 -0.230312D+01 -0.927014D+00
      6   0.149862D+01  0.241449D+01 -0.332874D+01 -0.546995D-01 -0.132723D+01
                36            37            38            39            40 
      1   0.920303D+01  0.119078D+01  0.876258D+01 -0.513073D+01  0.142217D+02
      2   0.109365D+02 -0.698505D+00 -0.182251D+01  0.346669D+01 -0.432977D+01
      3  -0.201395D+02 -0.492273D+00 -0.694007D+01  0.166404D+01 -0.989193D+01
      4   0.798742D+00  0.130258D+02 -0.685011D+00  0.531067D+01 -0.936567D+00
      5  -0.560345D+01 -0.570685D+01  0.597205D+01  0.196756D+01  0.111618D+02
      6  -0.990824D+01 -0.256142D+01  0.490880D+01  0.864366D+00  0.371365D+01
                41            42            43            44            45 
      1   0.670777D+00  0.707722D+01 -0.383612D+01  0.690532D+01  0.395678D+01
      2   0.312281D+01 -0.440886D+01  0.146129D+01 -0.216038D+01 -0.627985D+01
      3  -0.379359D+01 -0.266836D+01  0.237483D+01 -0.474494D+01  0.232307D+01
      4  -0.239806D+00  0.320057D+01  0.940839D+01  0.228643D+01 -0.899700D+01
      5   0.408282D+01 -0.948566D+01  0.365207D+01 -0.962608D+01  0.340198D+01
      6   0.496712D+01 -0.605703D+01 -0.264652D+01 -0.624852D+01  0.389091D+01
                46            47            48            49            50 
      1  -0.475397D+01  0.394773D+01  0.740852D+01  0.274899D+01  0.637883D+01
      2  -0.882251D+00 -0.732609D+01 -0.880072D+00 -0.764654D+01 -0.110158D+02
      3   0.563622D+01  0.337837D+01 -0.652845D+01  0.489756D+01  0.463696D+01
      4  -0.154753D+01 -0.117682D+02 -0.345324D+01 -0.681173D+01 -0.843049D+01
      5   0.404531D+01 -0.550747D+01 -0.671968D+01 -0.500352D+01 -0.713309D+01
      6   0.992056D+00 -0.947885D+01 -0.547218D+01 -0.869112D+01 -0.112239D+02
                51            52            53            54            55 
      1  -0.792431D+01  0.613626D+01 -0.632510D+01  0.620211D+01  0.473494D+01
      2  -0.109179D+02 -0.184405D+01 -0.715616D+01  0.102377D+02 -0.854189D+01
      3   0.188423D+02 -0.429220D+01  0.134813D+02 -0.164398D+02  0.380696D+01
      4  -0.536744D+01 -0.145855D+01 -0.236851D+01  0.143303D+01 -0.180059D+02
      5   0.480576D+01 -0.243297D+01  0.165705D+01 -0.620188D+01 -0.129345D+01
      6  -0.207512D+01 -0.212877D+01  0.117954D+00  0.699930D+01 -0.360277D+01
                56            57            58            59            60 
      1   0.190403D+01 -0.248348D+00  0.375347D+01 -0.209857D+02  0.639449D+01
      2  -0.939507D+01  0.374410D+00 -0.662324D+01  0.312706D+02 -0.292531D+01
      3   0.749104D+01 -0.126062D+00  0.286977D+01 -0.102849D+02 -0.346917D+01
      4  -0.602609D+01 -0.285080D+01 -0.229512D+00 -0.479648D+01 -0.212503D+01
      5  -0.693020D+00  0.325842D+01 -0.197829D+00 -0.127835D+01  0.185295D+01
      6  -0.190518D+01 -0.110251D+01 -0.181691D+01 -0.525497D+01  0.880344D+01
                61            62            63            64            65 
      1  -0.101589D+01  0.929458D+01 -0.838322D+01  0.264515D+00 -0.395238D+00
      2  -0.421766D+00 -0.145139D+02  0.272940D+01 -0.320232D+01 -0.154893D+00
      3   0.143765D+01  0.521927D+01  0.565381D+01  0.293780D+01  0.550130D+00
      4  -0.538280D+01 -0.396941D+01  0.258492D+00 -0.306773D+00  0.240308D+01
      5   0.325002D+01  0.190692D+01 -0.230011D+01  0.106246D+01  0.126064D+01
      6  -0.998398D+00  0.109620D+02 -0.635840D+01  0.206503D+01  0.242553D+00
                66            67            68            69            70 
      1   0.453890D+00  0.212727D+00 -0.571279D+01 -0.367397D+01  0.518022D+00
      2  -0.548863D+00 -0.216490D+00  0.302235D+01  0.981167D+00 -0.335863D+00
      3   0.949736D-01  0.376271D-02  0.269045D+01  0.269280D+01 -0.182159D+00
      4   0.246678D+01  0.168392D+01  0.554731D+00  0.273837D+00  0.173488D+01
      5   0.651010D+01  0.707274D+00  0.463702D+00  0.700179D+00  0.587325D+01
      6   0.647013D+00  0.259065D+00  0.470230D+01  0.832928D+01  0.783634D+00
                71            72            73            74            75 
      1  -0.486792D+01 -0.185818D+02 -0.107672D+02 -0.173480D+02 -0.353054D+01
      2   0.101159D+01 -0.150249D+02  0.101530D+02  0.109337D+02  0.589797D+01
      3   0.385633D+01  0.336068D+02  0.614170D+00  0.641429D+01 -0.236743D+01
      4   0.957613D+00  0.285890D+00 -0.183017D+02 -0.475765D+00 -0.161512D+02
      5   0.107081D+01  0.511904D+01 -0.142761D+01 -0.179362D+02 -0.813807D+01
      6   0.779453D+01  0.164033D+02 -0.553634D+01  0.368158D+01  0.496198D+00
                76            77            78            79            80 
      1  -0.222506D+02 -0.319393D+00 -0.204981D+02 -0.367642D+01 -0.189865D+02
      2   0.139222D+02  0.881173D+00  0.103543D+02  0.630526D+01  0.866741D+01
      3   0.832841D+01 -0.561780D+00  0.101438D+02 -0.262883D+01  0.103191D+02
      4  -0.333923D+01  0.372656D+01 -0.915812D+00 -0.191608D+02  0.104733D+01
      5  -0.219541D+02 -0.364893D+01  0.138285D+02 -0.117319D+02  0.151784D+02
      6   0.339607D+01  0.172853D+01 -0.900989D+01  0.368513D+01 -0.943610D+01
                81            82            83            84            85 
      1  -0.249184D+01  0.385446D+01 -0.194485D+02  0.420302D+01 -0.194316D+02
      2  -0.208105D+01 -0.105864D+02  0.194004D+01 -0.113313D+02 -0.275336D+00
      3   0.457289D+01  0.673192D+01  0.175085D+02  0.712830D+01  0.197069D+02
      4   0.158077D+02 -0.130596D+02 -0.138397D+02 -0.529352D+01 -0.139019D+02
      5   0.396684D+01  0.426962D+00  0.680871D+00 -0.430057D+01 -0.188111D+01
      6  -0.254789D+00  0.723551D+01 -0.732747D+01  0.647871D+01 -0.700396D+01
                86            87            88            89            90 
      1  -0.281160D+01 -0.261914D+01  0.173755D+01 -0.389843D+01 -0.270254D+01
      2  -0.329104D+01  0.101404D+02 -0.117855D+02  0.780516D+01  0.144980D+02
      3   0.610264D+01 -0.752130D+01  0.100480D+02 -0.390672D+01 -0.117955D+02
      4  -0.407982D+01 -0.763401D+01 -0.907606D+01 -0.105698D+02  0.967005D+01
      5  -0.371389D+01  0.185209D+02 -0.577521D+01  0.159575D+02  0.844174D+01
      6  -0.160530D+01  0.601225D+01  0.718387D+01  0.668982D+01 -0.874963D+01
                91            92            93            94            95 
      1  -0.314127D+00 -0.627258D+00  0.203425D+00 -0.553254D+00 -0.485115D+01
      2  -0.395520D+01  0.122792D+01 -0.161365D+01  0.253648D+01 -0.109929D+01
      3   0.426933D+01 -0.600665D+00  0.141022D+01 -0.198323D+01  0.595044D+01
      4  -0.210406D+00  0.220709D+01  0.643576D+00  0.158787D+01  0.390960D-01
      5   0.175842D+01 -0.127369D+01  0.814550D+01 -0.294547D+01  0.233716D+01
      6  -0.860437D+00  0.107677D+01  0.549029D+00  0.270716D+01 -0.328924D+01
                96            97            98            99           100 
      1   0.776372D+01 -0.205736D+01  0.287366D+01 -0.212454D+02  0.537251D+00
      2   0.867886D+01 -0.190882D+01  0.461905D+01 -0.198563D+02  0.446305D+01
      3  -0.164426D+02  0.396618D+01 -0.749271D+01  0.411018D+02 -0.500030D+01
      4   0.194978D+01  0.684462D+00  0.172621D+01 -0.115863D+01  0.881080D+01
      5  -0.436465D+01  0.714768D+01 -0.100445D+01  0.855014D+01  0.505114D+01
      6   0.574161D+01 -0.181163D+00  0.587887D+01  0.140126D+00  0.558000D+01
               101           102           103           104           105 
      1  -0.323775D+01 -0.210512D+01 -0.329302D+01 -0.179294D+02 -0.712564D+01
      2   0.698741D+01  0.107648D+01  0.683247D+01  0.280495D+02  0.694835D+01
      3  -0.374966D+01  0.102864D+01 -0.353945D+01 -0.101201D+02  0.177288D+00
      4   0.118488D+02  0.426193D+01  0.113162D+02  0.153175D+02  0.512816D+01
      5   0.600528D+01  0.502539D+01  0.542588D+01  0.652914D+01  0.414899D+01
      6   0.745275D+01  0.547827D+01  0.651130D+01  0.213647D+02  0.129315D+02
               106           107           108           109           110 
      1  -0.228071D+01 -0.340740D+01 -0.587588D+01  0.192910D+01 -0.314604D+01
      2   0.266509D+00  0.217862D+01  0.166250D+01  0.944003D+01  0.147204D+02
      3   0.201421D+01  0.122879D+01  0.421338D+01 -0.113691D+02 -0.115744D+02
      4   0.147177D+01  0.226055D+01  0.294830D+01  0.223802D+02  0.201682D+02
      5   0.247578D+01  0.268993D+01  0.323043D+01 -0.259373D+00 -0.146930D+00
      6   0.345416D+01  0.847531D+01  0.579672D+01  0.172567D+01  0.111131D+01
               111           112           113           114           115 
      1   0.554879D-01 -0.165616D+01 -0.555155D+01 -0.122258D+00 -0.249678D+00
      2  -0.334123D+00  0.860178D+01  0.154866D+02  0.305991D+00  0.117168D+01
      3   0.278635D+00 -0.694561D+01 -0.993500D+01 -0.183733D+00 -0.922002D+00
      4   0.356655D+00  0.128019D+02  0.129378D+02  0.224569D+00  0.267258D+01
      5   0.213015D+01 -0.211021D+00  0.188009D+00  0.928397D+00  0.286527D+01
      6   0.330647D+01  0.808513D+00  0.120424D+01  0.274715D+01  0.344836D+01
               116           117           118           119           120 
      1  -0.918352D+00 -0.116447D+01 -0.196303D+01 -0.170082D+01  0.387563D+01
      2   0.200529D+01  0.148336D+01  0.114400D+01  0.931931D+00 -0.133895D+01
      3  -0.108693D+01 -0.318890D+00  0.819027D+00  0.768890D+00 -0.253668D+01
      4   0.245936D+01  0.324151D+01  0.156745D+01  0.128474D+01  0.198848D+00
      5   0.201886D+01  0.520120D+00  0.989474D+00  0.958085D+00  0.773185D+00
      6   0.458269D+01  0.428319D+00 -0.136890D+01 -0.116074D+01  0.973881D+00
               121           122           123           124           125 
      1  -0.375515D+01 -0.860231D+01  0.832625D+01  0.624313D+01  0.851063D+01
      2   0.136428D+01  0.117165D+02 -0.544948D+01 -0.316006D+01 -0.612315D+01
      3   0.239087D+01 -0.311417D+01 -0.287676D+01 -0.308307D+01 -0.238748D+01
      4   0.667339D+01 -0.157795D+02  0.910004D+01 -0.295597D+01  0.107708D+02
      5  -0.951117D+00  0.959960D+01 -0.119792D+02  0.571531D+01 -0.112183D+02
      6   0.684525D+00 -0.111516D+02  0.113434D+02 -0.136172D+01  0.116605D+02
               126           127           128           129           130 
      1  -0.832723D+01  0.156759D+02 -0.449761D+01 -0.618996D+01 -0.557696D+01
      2   0.645688D+00 -0.680447D+01 -0.598136D+00  0.154469D+01 -0.737965D+00
      3   0.768155D+01 -0.887147D+01  0.509574D+01  0.464528D+01  0.631493D+01
      4  -0.105272D+02 -0.967954D+01  0.100302D+02  0.783525D+01  0.127903D+02
      5   0.143276D+02 -0.821659D+01  0.674871D+01  0.103600D+02  0.782839D+01
      6  -0.120149D+02  0.380030D+01 -0.252918D+01 -0.294143D+01 -0.363450D+01
               131           132           133           134           135 
      1   0.192298D+01  0.333737D+01 -0.130008D+02  0.426767D+01  0.344278D+01
      2   0.529321D+01  0.109089D+01  0.523245D+01  0.177627D+01 -0.287984D+01
      3  -0.721619D+01 -0.442826D+01  0.776837D+01 -0.604393D+01 -0.562937D+00
      4  -0.157032D+02 -0.846431D+01  0.136364D+02 -0.135189D+02 -0.118175D+02
      5  -0.753094D+01 -0.102401D+02  0.145458D+02 -0.111891D+02 -0.206961D+02
      6   0.572800D+01  0.762692D+01 -0.541876D+01  0.821788D+01  0.972907D+01
               136           137           138           139           140 
      1   0.442604D+02  0.115019D+02  0.108194D+02  0.233137D+02  0.829484D+01
      2  -0.260033D+02 -0.770682D+01 -0.868662D+01 -0.139041D+02 -0.419186D+01
      3  -0.182571D+02 -0.379507D+01 -0.213276D+01 -0.940955D+01 -0.410297D+01
      4   0.818292D+01  0.101888D+02  0.381508D+01  0.113953D+02  0.114760D+02
      5   0.156555D+02  0.581749D+01  0.127783D+02  0.103275D+02  0.518027D+01
      6   0.142411D+01  0.110830D+01  0.173439D+00  0.183868D+01  0.243492D+01
               141           142           143           144           145 
      1   0.639968D+01  0.126197D+02  0.449705D+01  0.716963D+01 -0.873975D+01
      2  -0.544207D+01 -0.991171D+01 -0.365794D+01 -0.666516D+01  0.727979D+01
      3  -0.957607D+00 -0.270803D+01 -0.839114D+00 -0.504472D+00  0.145996D+01
      4   0.392439D+01  0.393368D+01  0.397319D+01  0.134201D+01 -0.657274D+01
      5   0.689757D+01  0.139740D+02  0.267727D+01  0.955469D+01  0.800953D+01
      6   0.308036D+01  0.407793D+00  0.344194D+01  0.958049D+00 -0.664138D+01
               146           147           148           149           150 
      1   0.130799D+02 -0.836851D+01  0.101497D+02 -0.139922D+02  0.773651D+01
      2  -0.110868D+02  0.301397D+01 -0.769719D+01  0.161344D+02 -0.504877D+01
      3  -0.199306D+01  0.535453D+01 -0.245255D+01 -0.214225D+01 -0.268774D+01
      4   0.397019D+01 -0.579668D+00  0.632804D+01 -0.535724D-01  0.676193D+00
      5  -0.314338D+01  0.208931D+01 -0.403197D+01  0.217563D+01 -0.181967D+01
      6   0.102231D+02 -0.885270D+01  0.620048D+01 -0.125255D+02  0.845470D+01
               151           152           153           154           155 
      1  -0.490347D+01  0.674027D+01 -0.708517D+01  0.200219D+02  0.884563D+01
      2   0.261790D+01 -0.392772D+01 -0.109191D+00 -0.124748D+01  0.584366D+01
      3   0.228556D+01 -0.281255D+01  0.719436D+01 -0.187744D+02 -0.146893D+02
      4  -0.948851D+00  0.130050D+01 -0.175396D+01  0.243646D+02  0.212557D+02
      5   0.398900D+01 -0.214418D+01 -0.941514D-01 -0.716851D+01 -0.481658D+01
      6  -0.524142D+01  0.745067D+01 -0.653938D+01 -0.404567D+01 -0.384762D+01
               156           157           158           159           160 
      1   0.180555D+01  0.896776D+01  0.169025D+01  0.156450D+01  0.534486D+01
      2   0.240754D+01  0.496193D+01  0.133788D+02  0.519681D+00  0.123302D+01
      3  -0.421310D+01 -0.139297D+02 -0.150691D+02 -0.208418D+01 -0.657788D+01
      4   0.443166D+00  0.197704D+02  0.219314D+02  0.852624D+00  0.653554D+01
      5   0.626577D+01 -0.484742D+01 -0.355274D+01  0.204712D+01  0.348279D+01
      6   0.355867D+01 -0.298018D+01 -0.576812D+01  0.410616D+01  0.194081D+01
               161           162           163           164           165 
      1   0.160085D+01  0.222491D+01  0.433865D+01  0.183874D+00 -0.304845D+01
      2   0.293754D+01 -0.756760D+00 -0.641521D+01  0.248160D+01  0.927049D+01
      3  -0.453839D+01 -0.146815D+01  0.207656D+01 -0.266547D+01 -0.622204D+01
      4   0.676830D+01  0.327260D+01  0.129831D+01  0.417016D+01  0.127018D+00
      5   0.841502D+00  0.123779D+01 -0.100494D+02  0.213822D+01  0.129138D+02
      6   0.213191D+01  0.258672D+01 -0.847718D+00 -0.103398D+01  0.724134D+00
               166           167           168           169           170 
      1  -0.150478D+01 -0.396630D+00 -0.165985D+01 -0.328352D+01  0.716618D+00
      2   0.492995D+01 -0.326344D+01 -0.974883D+01  0.106424D+02 -0.672977D+01
      3  -0.342516D+01  0.366007D+01  0.114087D+02 -0.735883D+01  0.601315D+01
      4   0.314109D+01 -0.388893D+01 -0.246514D+01 -0.583062D+00 -0.352427D+01
      5   0.689537D+01 -0.427097D+01 -0.114437D+02  0.146367D+02 -0.486688D+01
      6  -0.915990D+00  0.506575D+01  0.351023D+01  0.874984D+00  0.555421D+01
               171 
      1  -0.883569D+01
      2  -0.232554D+02
      3   0.320911D+02
      4  -0.146275D+01
      5  -0.260401D+02
      6  -0.363604D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x         -0.138051D+01     -0.350890D+01     -0.117044D+02
   y          0.120940D+00      0.307399D+00      0.102537D+01
   z          0.920778D-01      0.234038D+00      0.780668D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.873560D+02      0.129448D+02      0.144031D+02
   yx         0.237664D+01      0.352182D+00      0.391856D+00
   yy         0.740382D+02      0.109713D+02      0.122073D+02
   zx         0.408341D+01      0.605099D+00      0.673264D+00
   zy         0.101509D+01      0.150421D+00      0.167366D+00
   zz         0.713563D+02      0.105739D+02      0.117651D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.821347D+02      0.121711D+02      0.135422D+02
   aniso      0.175406D+02      0.259925D+01      0.289206D+01
   xx         0.923324D+02      0.136823D+02      0.152236D+02
   yx         0.203741D+01      0.301913D+00      0.335923D+00
   yy         0.783832D+02      0.116152D+02      0.129236D+02
   zx         0.416168D+01      0.616698D+00      0.686169D+00
   zy         0.112955D+01      0.167382D+00      0.186238D+00
   zz         0.756884D+02      0.112159D+02      0.124793D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -1.55437010         -1.74497195         -2.18063241
     6          0.37768643         -0.15391781         -2.68318866
     8          1.24977350          0.13306867         -4.75163775
     6          1.11616825          1.25650837         -0.26329880
     6         -0.00310995         -0.40101639          1.83007081
     6         -2.29324872         -1.53288588          0.43907627
     8         -0.07542417          3.66815660         -0.31080882
     1          3.16790422          1.44562121         -0.12806063
     6         -0.76986026          1.03577573          4.20354551
     6          1.89345626         -2.49931554          2.46239409
     1         -3.94135709         -0.29897836          0.54428798
     1         -2.79563854         -3.41649324          1.09591365
     1          0.43444072          4.51892883         -1.84140311
     1         -2.05346140          2.58054691          3.76304098
     1          0.88550229          1.82725366          5.14449394
     1         -1.70058522         -0.23901202          5.53418525
     1          2.44070756         -3.57130167          0.78601799
     1          1.07255014         -3.82032819          3.81599103
     1          3.60355101         -1.70715325          3.29857708

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.138885D+01      0.353011D+01      0.117752D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.722483D+02      0.107061D+02      0.119121D+02
   yx         0.179840D+01      0.266495D+00      0.296516D+00
   yy         0.742555D+02      0.110035D+02      0.122431D+02
   zx        -0.524639D+01     -0.777434D+00     -0.865012D+00
   zy        -0.295332D+01     -0.437636D+00     -0.486936D+00
   zz         0.862468D+02      0.127805D+02      0.142202D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.821347D+02      0.121711D+02      0.135422D+02
   aniso      0.175406D+02      0.259925D+01      0.289206D+01
   xx         0.766097D+02      0.113524D+02      0.126312D+02
   yx         0.189429D+01      0.280705D+00      0.312326D+00
   yy         0.785289D+02      0.116368D+02      0.129477D+02
   zx        -0.533454D+01     -0.790497D+00     -0.879546D+00
   zy        -0.265792D+01     -0.393864D+00     -0.438232D+00
   zz         0.912654D+02      0.135241D+02      0.150476D+02

 ----------------------------------------------------------------------
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 THE NUMBERS ARE MEANINGLESS, BUT THE TRENDS ARE IMPORTANT.
     -- LARRY BURGGRAF
 Job cpu time:       0 days  6 hours 23 minutes  9.7 seconds.
 Elapsed time:       0 days  0 hours 24 minutes  0.6 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 00:18:53 2021.
